6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene

C15H22 — CID 71410515

IUPAC6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene
SMILESCC(C)=CC1C=C(C)C(C)C2CC=CC12
InChIInChI=1S/C15H22/c1-10(2)8-13-9-11(3)12(4)14-6-5-7-15(13)14/h5,7-9,12-15H,6H2,1-4H3
InChIKeyJABFJNGYNCAGEO-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.36
Rot. Bonds1

About 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene

6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene (PubChem CID 71410515) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene
PubChem CID71410515
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene
SMILESCC(C)=CC1C=C(C)C(C)C2CC=CC12
InChIInChI=1S/C15H22/c1-10(2)8-13-9-11(3)12(4)14-6-5-7-15(13)14/h5,7-9,12-15H,6H2,1-4H3
InChIKeyJABFJNGYNCAGEO-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene?
The IUPAC name of 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene (CID 71410515) is 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene.
What is the SMILES notation for 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene?
The canonical SMILES for 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene is CC(C)=CC1C=C(C)C(C)C2CC=CC12.
What is the InChIKey of 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene?
The InChIKey is JABFJNGYNCAGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-10(2)8-13-9-11(3)12(4)14-6-5-7-15(13)14/h5,7-9,12-15H,6H2,1-4H3.
What are the key properties of 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene?
6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene has a molecular weight of 202.34 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene is sourced from PubChem (CID 71410515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).