cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane

C299H576O — CID 159631963

IUPACcis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1[C@@H](C)[C@H]1C.CC(C1CCCCC1)C1CCCCC1.CC(C1CCCCC1)C1CCCCC1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1.CC12CC3(C)CC(C)(C1)CC(C)(C2)C3.CC12CC3CC(C)(C1)CC(C)(C3)C2.CC1C(C)C1C.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCCCCC1.CC1CCCCCCC1.CC1CCCCCCCC1.C[C@@H]1CC2CC1[C@@H](C)C2.C[C@@H]1CC2C[C@H](C)C1O2.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H24.2C14H26.2C14H14.C13H22.4C11H10.C10H20.C9H16.C9H18.C8H14O.2C8H16.C7H14.2C7H8.2C6H12.C5H10.41C2H6/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;4*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-11-4-10-5-12(2,7-11)9-13(3,6-10)8-11;2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-10-8-6-4-2-3-5-7-9-10;1-6-3-8-4-7(2)9(6)5-8;1-9-7-5-3-2-4-6-8-9;1-5-3-7-4-6(2)8(5)9-7;1-5(2)8-6(3)7(8)4;1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-4-5(2)6(4)3;1-6-4-2-3-5-6;1-5-3-2-4-5;41*1-2/h5-10H2,1-4H3;2*12-14H,2-11H2,1H3;2*2-12H,1H3;10H,4-9H2,1-3H3;4*2-8H,1H3;10H,2-9H2,1H3;6-9H,3-5H2,1-2H3;9H,2-8H2,1H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;8H,2-7H2,1H3;7H,2-6H2,1H3;2*2-6H,1H3;4-6H,1-3H3;6H,2-5H2,1H3;5H,2-4H2,1H3;41*1-2H3/t;;;;;;;;;;;6-,7+,8?,9?;;5-,6+,7?,8?;6-,7+,8?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyMPFVUCCONFRMBQ-OXQPOUPJSA-N
MW4187.90 g/mol
LogP109.95
Rot. Bonds9

About cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane

cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane (PubChem CID 159631963) has the molecular formula C299H576O and a molecular weight of 4187.90 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane
PubChem CID159631963
Molecular FormulaC299H576O
Molecular Weight4187.90 g/mol
Exact Mass4184.50
IUPAC Namecis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1[C@@H](C)[C@H]1C.CC(C1CCCCC1)C1CCCCC1.CC(C1CCCCC1)C1CCCCC1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1.CC12CC3(C)CC(C)(C1)CC(C)(C2)C3.CC12CC3CC(C)(C1)CC(C)(C3)C2.CC1C(C)C1C.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCCCCC1.CC1CCCCCCC1.CC1CCCCCCCC1.C[C@@H]1CC2CC1[C@@H](C)C2.C[C@@H]1CC2C[C@H](C)C1O2.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H24.2C14H26.2C14H14.C13H22.4C11H10.C10H20.C9H16.C9H18.C8H14O.2C8H16.C7H14.2C7H8.2C6H12.C5H10.41C2H6/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;4*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-11-4-10-5-12(2,7-11)9-13(3,6-10)8-11;2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-10-8-6-4-2-3-5-7-9-10;1-6-3-8-4-7(2)9(6)5-8;1-9-7-5-3-2-4-6-8-9;1-5-3-7-4-6(2)8(5)9-7;1-5(2)8-6(3)7(8)4;1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-4-5(2)6(4)3;1-6-4-2-3-5-6;1-5-3-2-4-5;41*1-2/h5-10H2,1-4H3;2*12-14H,2-11H2,1H3;2*2-12H,1H3;10H,4-9H2,1-3H3;4*2-8H,1H3;10H,2-9H2,1H3;6-9H,3-5H2,1-2H3;9H,2-8H2,1H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;8H,2-7H2,1H3;7H,2-6H2,1H3;2*2-6H,1H3;4-6H,1-3H3;6H,2-5H2,1H3;5H,2-4H2,1H3;41*1-2H3/t;;;;;;;;;;;6-,7+,8?,9?;;5-,6+,7?,8?;6-,7+,8?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyMPFVUCCONFRMBQ-OXQPOUPJSA-N
XLogP109.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms300
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004187.90
LogP ≤ 5109.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane with MolForge

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Related Compounds

cumene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;2,2-dimethylpropane;1-methyladamantane;2-methylbutane;methylcyclohexane;1-methylnaphthalene;2-methylpropane;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene
CID 161394079
2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene
CID 159060906
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
1,3-dimethylcyclohexane;methylcyclobutane;methylcyclohexane;methylcyclopentane;1,2,3,5-tetramethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161051504
ethane;1-methylnaphthalene;toluene
CID 91013579
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene
CID 161034460
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
tetrakis(dibenzofuran);tetrakis(dibenzothiophene);ethane;methylcyclohexane;toluene
CID 160620616
1-ethyldibenzofuran;2-methylnaphthalene;4-propan-2-ylbenzonitrile;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613063

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane?
The IUPAC name of cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane (CID 159631963) is cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane.
What is the SMILES notation for cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane?
The canonical SMILES for cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1[C@@H](C)[C@H]1C.CC(C1CCCCC1)C1CCCCC1.CC(C1CCCCC1)C1CCCCC1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1.CC12CC3(C)CC(C)(C1)CC(C)(C2)C3.CC12CC3CC(C)(C1)CC(C)(C3)C2.CC1C(C)C1C.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCCCCC1.CC1CCCCCCC1.CC1CCCCCCCC1.C[C@@H]1CC2CC1[C@@H](C)C2.C[C@@H]1CC2C[C@H](C)C1O2.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane?
The InChIKey is MPFVUCCONFRMBQ-OXQPOUPJSA-N. The full InChI is InChI=1S/C14H24.2C14H26.2C14H14.C13H22.4C11H10.C10H20.C9H16.C9H18.C8H14O.2C8H16.C7H14.2C7H8.2C6H12.C5H10.41C2H6/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;4*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-11-4-10-5-12(2,7-11)9-13(3,6-10)8-11;2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-10-8-6-4-2-3-5-7-9-10;1-6-3-8-4-7(2)9(6)5-8;1-9-7-5-3-2-4-6-8-9;1-5-3-7-4-6(2)8(5)9-7;1-5(2)8-6(3)7(8)4;1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-4-5(2)6(4)3;1-6-4-2-3-5-6;1-5-3-2-4-5;41*1-2/h5-10H2,1-4H3;2*12-14H,2-11H2,1H3;2*2-12H,1H3;10H,4-9H2,1-3H3;4*2-8H,1H3;10H,2-9H2,1H3;6-9H,3-5H2,1-2H3;9H,2-8H2,1H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;8H,2-7H2,1H3;7H,2-6H2,1H3;2*2-6H,1H3;4-6H,1-3H3;6H,2-5H2,1H3;5H,2-4H2,1H3;41*1-2H3/t;;;;;;;;;;;6-,7+,8?,9?;;5-,6+,7?,8?;6-,7+,8?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane?
cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane has a molecular weight of 4187.90 g/mol, XLogP of 109.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-dimethyl-3-propan-2-ylcyclopropane;bis(1-cyclohexylethylcyclohexane);(2S,6R)-2,6-dimethylbicyclo[2.2.1]heptane;(2R,6S)-2,6-dimethyl-7-oxabicyclo[2.2.1]heptane;ethane;methylcyclobutane;methylcycloheptane;methylcyclohexane;methylcyclononane;methylcyclooctane;methylcyclopentane;bis(1-methylnaphthalene);bis(2-methylnaphthalene);bis(1-phenylethylbenzene);1,3,5,7-tetramethyladamantane;toluene;1,3,5-trimethyladamantane;1,2,3-trimethylcyclopropane is sourced from PubChem (CID 159631963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).