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

C11H16 — CID 140627112

IUPAC5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1=CC(C)=C2CCCC2C1
InChIInChI=1S/C11H16/c1-8-6-9(2)11-5-3-4-10(11)7-8/h6,10H,3-5,7H2,1-2H3
InChIKeyPCVJCIXDZJZSTQ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.45
Rot. Bonds

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

5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene (PubChem CID 140627112) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene.

Molecular Properties

Compound Name5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
PubChem CID140627112
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1=CC(C)=C2CCCC2C1
InChIInChI=1S/C11H16/c1-8-6-9(2)11-5-3-4-10(11)7-8/h6,10H,3-5,7H2,1-2H3
InChIKeyPCVJCIXDZJZSTQ-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methylbicyclo[3.1.1]hept-1(6)-ene
CID 143372667
8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 12753766
1-fluoro-6-[(1R)-2-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl]-2,4-dimethylcyclohexa-1,3-diene
CID 71028663
bis(5,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);zirconium(4+);dibromide
CID 159388221
6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one
CID 130037349
3,5-dimethylcyclohept-2-en-1-one
CID 170694473
4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine
CID 89073896
1-cyclohexyl-4-methylcyclohexa-1,3-diene;methane
CID 144632405
3-(2,6-dimethylphenyl)cyclohexan-1-one
CID 24723962
7-propan-2-yl-2,3,3a,4-tetrahydro-1H-indene
CID 139711822
4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
CID 87376967
3-propyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 102337325

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene?
The IUPAC name of 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene (CID 140627112) is 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene.
What is the SMILES notation for 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene?
The canonical SMILES for 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene is CC1=CC(C)=C2CCCC2C1.
What is the InChIKey of 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene?
The InChIKey is PCVJCIXDZJZSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8-6-9(2)11-5-3-4-10(11)7-8/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene?
5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene has a molecular weight of 148.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene is sourced from PubChem (CID 140627112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).