2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene

C20H28 — CID 170590591

IUPAC2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC=C1CCC(C2C(C)C3C=CC(C)=CC3C2C)C(=C)C1
InChIInChI=1S/C20H28/c1-12-6-8-17(14(3)10-12)20-15(4)18-9-7-13(2)11-19(18)16(20)5/h7,9,11,15-20H,1,3,6,8,10H2,2,4-5H3
InChIKeyFDTZEKXZDNHASZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.55
Rot. Bonds1

About 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene

2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 170590591) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID170590591
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC=C1CCC(C2C(C)C3C=CC(C)=CC3C2C)C(=C)C1
InChIInChI=1S/C20H28/c1-12-6-8-17(14(3)10-12)20-15(4)18-9-7-13(2)11-19(18)16(20)5/h7,9,11,15-20H,1,3,6,8,10H2,2,4-5H3
InChIKeyFDTZEKXZDNHASZ-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.55
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 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 170590591) is 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene is C=C1CCC(C2C(C)C3C=CC(C)=CC3C2C)C(=C)C1.
What is the InChIKey of 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is FDTZEKXZDNHASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-12-6-8-17(14(3)10-12)20-15(4)18-9-7-13(2)11-19(18)16(20)5/h7,9,11,15-20H,1,3,6,8,10H2,2,4-5H3.
What are the key properties of 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?
2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 268.44 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 170590591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).