1,2,3-trimethyl-3a,7a-dihydro-1H-indene

C12H16 — CID 22082629

IUPAC1,2,3-trimethyl-3a,7a-dihydro-1H-indene
SMILESCC1=C(C)C2C=CC=CC2C1C
InChIInChI=1S/C12H16/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9,11-12H,1-3H3
InChIKeyGJHGBTBQLCXCPE-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.33
Rot. Bonds

About 1,2,3-trimethyl-3a,7a-dihydro-1H-indene

1,2,3-trimethyl-3a,7a-dihydro-1H-indene (PubChem CID 22082629) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,2,3-trimethyl-3a,7a-dihydro-1H-indene.

Molecular Properties

Compound Name1,2,3-trimethyl-3a,7a-dihydro-1H-indene
PubChem CID22082629
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1,2,3-trimethyl-3a,7a-dihydro-1H-indene
SMILESCC1=C(C)C2C=CC=CC2C1C
InChIInChI=1S/C12H16/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9,11-12H,1-3H3
InChIKeyGJHGBTBQLCXCPE-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.33
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

(2S,3R)-2,3-dimethyl-2,3,3a,7a-tetrahydroinden-1-one
CID 11105670
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
1,2,3,4-tetramethylcyclobutene
CID 565395
8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one
CID 143703315
9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 18783453
8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one;2,2-dimethylpropane
CID 143703314
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107
3,4-dihydroxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one
CID 155221831
5,6-dimethylcyclohexa-1,3-diene
CID 564578
5,6-difluorocyclohexa-1,3-diene
CID 22270273

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-3a,7a-dihydro-1H-indene?
The IUPAC name of 1,2,3-trimethyl-3a,7a-dihydro-1H-indene (CID 22082629) is 1,2,3-trimethyl-3a,7a-dihydro-1H-indene.
What is the SMILES notation for 1,2,3-trimethyl-3a,7a-dihydro-1H-indene?
The canonical SMILES for 1,2,3-trimethyl-3a,7a-dihydro-1H-indene is CC1=C(C)C2C=CC=CC2C1C.
What is the InChIKey of 1,2,3-trimethyl-3a,7a-dihydro-1H-indene?
The InChIKey is GJHGBTBQLCXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9,11-12H,1-3H3.
What are the key properties of 1,2,3-trimethyl-3a,7a-dihydro-1H-indene?
1,2,3-trimethyl-3a,7a-dihydro-1H-indene has a molecular weight of 160.26 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-3a,7a-dihydro-1H-indene is sourced from PubChem (CID 22082629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).