bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane

C139H300O4 — CID 160579088

IUPACbis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCCC1C.CC1CC(C)C(C)C(C)C1.CC1CC(C)CC(C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C)(C)CC1.CC1CCC(C)C1C.CC1CCC(C)CC1.CC1CCC(C)CC1.CCC1CCC(C)CC1.CCC1CCCC(C)C1.CCC1CCCCC1C.CCCC1CCCCC1C.CCOC1CCC(C)CC1.COC1CC(C)CC(OC)C1OC
InChIInChI=1S/C10H20O3.4C10H20.C9H18O.5C9H18.3C8H16.11CH4/c1-7-5-8(11-2)10(13-4)9(6-7)12-3;1-7-5-8(2)10(4)9(3)6-7;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-3-6-10-8-5-4-7-9(10)2;1-3-10-9-6-4-8(2)5-7-9;1-7-4-8(2)6-9(3)5-7;1-8-4-6-9(2,3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-3-9-7-5-4-6-8(9)2;1-6-4-5-7(2)8(6)3;2*1-7-3-5-8(2)6-4-7;;;;;;;;;;;/h7-10H,5-6H2,1-4H3;7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;3*8-9H,3-7H2,1-2H3;6-8H,4-5H2,1-3H3;2*7-8H,3-6H2,1-2H3;11*1H4
InChIKeyRBNNTTXKUSFSGO-UHFFFAOYSA-N
MW2035.92 g/mol
LogP49.26
Rot. Bonds12

About bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane

bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane (PubChem CID 160579088) has the molecular formula C139H300O4 and a molecular weight of 2035.92 g/mol. Its IUPAC name is bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane.

Molecular Properties

Compound Namebis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane
PubChem CID160579088
Molecular FormulaC139H300O4
Molecular Weight2035.92 g/mol
Exact Mass2034.33
IUPAC Namebis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCCC1C.CC1CC(C)C(C)C(C)C1.CC1CC(C)CC(C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C)(C)CC1.CC1CCC(C)C1C.CC1CCC(C)CC1.CC1CCC(C)CC1.CCC1CCC(C)CC1.CCC1CCCC(C)C1.CCC1CCCCC1C.CCCC1CCCCC1C.CCOC1CCC(C)CC1.COC1CC(C)CC(OC)C1OC
InChIInChI=1S/C10H20O3.4C10H20.C9H18O.5C9H18.3C8H16.11CH4/c1-7-5-8(11-2)10(13-4)9(6-7)12-3;1-7-5-8(2)10(4)9(3)6-7;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-3-6-10-8-5-4-7-9(10)2;1-3-10-9-6-4-8(2)5-7-9;1-7-4-8(2)6-9(3)5-7;1-8-4-6-9(2,3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-3-9-7-5-4-6-8(9)2;1-6-4-5-7(2)8(6)3;2*1-7-3-5-8(2)6-4-7;;;;;;;;;;;/h7-10H,5-6H2,1-4H3;7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;3*8-9H,3-7H2,1-2H3;6-8H,4-5H2,1-3H3;2*7-8H,3-6H2,1-2H3;11*1H4
InChIKeyRBNNTTXKUSFSGO-UHFFFAOYSA-N
XLogP49.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002035.92
LogP ≤ 549.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane with MolForge

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Launch Full Analysis

Related Compounds

bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane
CID 163579621
(3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane
CID 167653207
bis(1-ethyl-1-methylcyclobutane);1-ethyl-2-methylcyclobutane;1-ethyl-3-methylcyclobutane;(2S)-1-ethyl-2-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;1,1,3-trimethylcyclobutane;(2S)-1,1,2-trimethylcyclobutane
CID 158590592
butan-2-ylcyclobutane;tert-butylcyclobutane;1-ethyl-2-methylcyclopentane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane
CID 160862654
1-methyl-4-propan-2-yl-2-propylcyclohexane
CID 91031299
1-ethyl-3-(2-methylpropyl)cyclobutane;1-ethyl-3-(2-methylpropyl)cycloheptane;1-ethyl-3-(2-methylpropyl)cyclohexane;1-ethyl-3-(2-methylpropyl)cyclopentane;1-methyl-3-(2-methylpropyl)cyclobutane;1-methyl-3-(2-methylpropyl)cycloheptane;1-methyl-3-(2-methylpropyl)cyclohexane;1-methyl-3-(2-methylpropyl)cyclopentane
CID 161373906
1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane
CID 163915226
2,2-dimethylbutane;ethylcyclobutane;bis(1-ethyl-1-methylcyclopropane);1-ethyl-2-methylcyclopropane;(2S)-1-ethyl-2-methylcyclopropane;methane;(2S)-2-methylspiro[2.2]pentane;propan-2-ylcyclopropane;propylcyclopropane;1,1,2-trimethylcyclopropane;1,2,3-trimethylcyclopropane;(2S)-1,1,2-trimethylcyclopropane
CID 167622407
2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane
CID 158361454
5-ethyl-1-methyl-2-propan-2-ylcycloheptane
CID 123365042
1-ethyl-4-methylcyclooctane;methane
CID 159989571
1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane
CID 167085206

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane?
The IUPAC name of bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane (CID 160579088) is bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane.
What is the SMILES notation for bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane?
The canonical SMILES for bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane is C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCCC1C.CC1CC(C)C(C)C(C)C1.CC1CC(C)CC(C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C)(C)CC1.CC1CCC(C)C1C.CC1CCC(C)CC1.CC1CCC(C)CC1.CCC1CCC(C)CC1.CCC1CCCC(C)C1.CCC1CCCCC1C.CCCC1CCCCC1C.CCOC1CCC(C)CC1.COC1CC(C)CC(OC)C1OC.
What is the InChIKey of bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane?
The InChIKey is RBNNTTXKUSFSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.4C10H20.C9H18O.5C9H18.3C8H16.11CH4/c1-7-5-8(11-2)10(13-4)9(6-7)12-3;1-7-5-8(2)10(4)9(3)6-7;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-3-6-10-8-5-4-7-9(10)2;1-3-10-9-6-4-8(2)5-7-9;1-7-4-8(2)6-9(3)5-7;1-8-4-6-9(2,3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-3-9-7-5-4-6-8(9)2;1-6-4-5-7(2)8(6)3;2*1-7-3-5-8(2)6-4-7;;;;;;;;;;;/h7-10H,5-6H2,1-4H3;7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;3*8-9H,3-7H2,1-2H3;6-8H,4-5H2,1-3H3;2*7-8H,3-6H2,1-2H3;11*1H4.
What are the key properties of bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane?
bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane has a molecular weight of 2035.92 g/mol, XLogP of 49.26, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane is sourced from PubChem (CID 160579088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).