bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane

C70H124 — CID 158194105

IUPACbicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane
SMILESC1C2CC3C1C3C2.C1CC2CCC(C1)C2.C1CC2CCCC(C1)C2.C1CCCCC1.CC1CC(C)C1.CC1CCCC1.CC1CCCC1.CC1CCc2ccccc21.CCC1CCC1.CCC1CCC1
InChIInChI=1S/C10H12.C9H16.C8H14.C7H10.6C6H12/c1-8-6-7-9-4-2-3-5-10(8)9;1-3-8-5-2-6-9(4-1)7-8;1-2-7-4-5-8(3-1)6-7;1-4-2-6-5(1)7(6)3-4;1-5-3-6(2)4-5;2*1-6-4-2-3-5-6;2*1-2-6-4-3-5-6;1-2-4-6-5-3-1/h2-5,8H,6-7H2,1H3;8-9H,1-7H2;7-8H,1-6H2;4-7H,1-3H2;5-6H,3-4H2,1-2H3;4*6H,2-5H2,1H3;1-6H2
InChIKeyGACYXBLJOMKZLC-UHFFFAOYSA-N
MW965.76 g/mol
LogP23.14
Rot. Bonds2

About bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane

bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane (PubChem CID 158194105) has the molecular formula C70H124 and a molecular weight of 965.76 g/mol. Its IUPAC name is bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Namebicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane
PubChem CID158194105
Molecular FormulaC70H124
Molecular Weight965.76 g/mol
Exact Mass964.97
IUPAC Namebicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane
SMILESC1C2CC3C1C3C2.C1CC2CCC(C1)C2.C1CC2CCCC(C1)C2.C1CCCCC1.CC1CC(C)C1.CC1CCCC1.CC1CCCC1.CC1CCc2ccccc21.CCC1CCC1.CCC1CCC1
InChIInChI=1S/C10H12.C9H16.C8H14.C7H10.6C6H12/c1-8-6-7-9-4-2-3-5-10(8)9;1-3-8-5-2-6-9(4-1)7-8;1-2-7-4-5-8(3-1)6-7;1-4-2-6-5(1)7(6)3-4;1-5-3-6(2)4-5;2*1-6-4-2-3-5-6;2*1-2-6-4-3-5-6;1-2-4-6-5-3-1/h2-5,8H,6-7H2,1H3;8-9H,1-7H2;7-8H,1-6H2;4-7H,1-3H2;5-6H,3-4H2,1-2H3;4*6H,2-5H2,1H3;1-6H2
InChIKeyGACYXBLJOMKZLC-UHFFFAOYSA-N
XLogP23.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.76
LogP ≤ 523.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane with MolForge

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Related Compounds

ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
2,3-dihydro-1H-inden-1-yl-(3-ethylcyclohexyl)methanamine
CID 65406297
N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene
CID 177367040
N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532119
carbanide;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
CID 162292868
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
CID 158476891
1-ethyl-2,3-dihydro-1H-indene
CID 20971
cyclopropane;ethylcyclobutane;propane
CID 142456817
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955352

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane?
The IUPAC name of bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane (CID 158194105) is bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane?
The canonical SMILES for bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane is C1C2CC3C1C3C2.C1CC2CCC(C1)C2.C1CC2CCCC(C1)C2.C1CCCCC1.CC1CC(C)C1.CC1CCCC1.CC1CCCC1.CC1CCc2ccccc21.CCC1CCC1.CCC1CCC1.
What is the InChIKey of bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane?
The InChIKey is GACYXBLJOMKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H16.C8H14.C7H10.6C6H12/c1-8-6-7-9-4-2-3-5-10(8)9;1-3-8-5-2-6-9(4-1)7-8;1-2-7-4-5-8(3-1)6-7;1-4-2-6-5(1)7(6)3-4;1-5-3-6(2)4-5;2*1-6-4-2-3-5-6;2*1-2-6-4-3-5-6;1-2-4-6-5-3-1/h2-5,8H,6-7H2,1H3;8-9H,1-7H2;7-8H,1-6H2;4-7H,1-3H2;5-6H,3-4H2,1-2H3;4*6H,2-5H2,1H3;1-6H2.
What are the key properties of bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane?
bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane has a molecular weight of 965.76 g/mol, XLogP of 23.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 158194105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).