5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene

C11H18 — CID 14415243

IUPAC5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene
SMILESCC1CC2C=CCC2CC1C
InChIInChI=1S/C11H18/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-11H,5-7H2,1-2H3
InChIKeyPGAVSEQUFJXJMH-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.24
Rot. Bonds

About 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene

5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene (PubChem CID 14415243) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene.

Molecular Properties

Compound Name5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene
PubChem CID14415243
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene
SMILESCC1CC2C=CCC2CC1C
InChIInChI=1S/C11H18/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-11H,5-7H2,1-2H3
InChIKeyPGAVSEQUFJXJMH-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 141236414
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CID 142484210
5-ethyl-1,3a,4,5,6,7,8,8a-octahydroazulene
CID 91284791
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
N-(2-methylcyclopropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 62398101
3-methylcyclobutene;sulfane
CID 90110313
(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 12721347
(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene
CID 136742471
(4S)-3,4-dimethylcyclopentene
CID 145216424
2-(3,4-dimethylcyclohexyl)-2,5-dihydro-1H-pyrrole
CID 130510766
tricyclo[4.3.0.02,4]non-7-ene
CID 154516658
ethane;4-methyl-2,3,3a,4,5,7a-hexahydro-1H-indene
CID 145030082

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene?
The IUPAC name of 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene (CID 14415243) is 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene.
What is the SMILES notation for 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene?
The canonical SMILES for 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene is CC1CC2C=CCC2CC1C.
What is the InChIKey of 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene?
The InChIKey is PGAVSEQUFJXJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene?
5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene has a molecular weight of 150.26 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene is sourced from PubChem (CID 14415243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).