2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene

C11H16 — CID 20661109

IUPAC2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1=C(C)C2=C(CCCC2)C1
InChIInChI=1S/C11H16/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3-7H2,1-2H3
InChIKeyRENBNDPOTJKPKP-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.60
Rot. Bonds

About 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene

2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 20661109) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
PubChem CID20661109
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1=C(C)C2=C(CCCC2)C1
InChIInChI=1S/C11H16/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3-7H2,1-2H3
InChIKeyRENBNDPOTJKPKP-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 88242
1,2,3,4-Tetramethyl-1,3-cyclohexadiene
CID 14001368
1,2-Diethylcyclohex-1-ene
CID 21960480
Diethylcyclopentene
CID 53658550
1-Methyl-2-(prop-1-en-2-yl)cyclohex-1-ene
CID 22321479
Cyclopentene, 1-butyl-2-methyl
CID 6427723
1,2-Dimethyl-3-prop-1-enylidenecyclohexene
CID 14570813
2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 17765519
1-Heptyl-2-methylcyclohexene
CID 85944800
6-Fluoro-7-methyl-3-methylidene-1,2,4,5-tetrahydroindene
CID 138553425
1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene
CID 170100391
Cyclopentene, 1-methyl-2-propyl
CID 523539

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene (CID 20661109) is 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene is CC1=C(C)C2=C(CCCC2)C1.
What is the InChIKey of 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is RENBNDPOTJKPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene?
2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 148.25 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 20661109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).