1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene

C11H18 — CID 23572815

IUPAC1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
SMILESCC1CC(C)C2CCC=CC12
InChIInChI=1S/C11H18/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3,5,8-11H,4,6-7H2,1-2H3
InChIKeyYEZKPXMRMKNLNA-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.24
Rot. Bonds

About 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene

1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene (PubChem CID 23572815) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene.

Molecular Properties

Compound Name1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
PubChem CID23572815
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
SMILESCC1CC(C)C2CCC=CC12
InChIInChI=1S/C11H18/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3,5,8-11H,4,6-7H2,1-2H3
InChIKeyYEZKPXMRMKNLNA-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 ≤ 500150.27
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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2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene
CID 162270139
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(3S)-3-methylcyclopentene
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(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene
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(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene?
The IUPAC name of 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene (CID 23572815) is 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene.
What is the SMILES notation for 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene?
The canonical SMILES for 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene is CC1CC(C)C2CCC=CC12.
What is the InChIKey of 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene?
The InChIKey is YEZKPXMRMKNLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3,5,8-11H,4,6-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene?
1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene has a molecular weight of 150.27 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 1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene is sourced from PubChem (CID 23572815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).