1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene

C18H24 — CID 172640775

IUPAC1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene
SMILESCC1=C(C)C(C)(C)C2c3ccccc3C(C)(C)C12
InChIInChI=1S/C18H24/c1-11-12(2)17(3,4)16-13-9-7-8-10-14(13)18(5,6)15(11)16/h7-10,15-16H,1-6H3
InChIKeyCQFRBUDXBYHSMV-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.05
Rot. Bonds

About 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene

1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene (PubChem CID 172640775) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene.

Molecular Properties

Compound Name1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene
PubChem CID172640775
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene
SMILESCC1=C(C)C(C)(C)C2c3ccccc3C(C)(C)C12
InChIInChI=1S/C18H24/c1-11-12(2)17(3,4)16-13-9-7-8-10-14(13)18(5,6)15(11)16/h7-10,15-16H,1-6H3
InChIKeyCQFRBUDXBYHSMV-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.05
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 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene?
The IUPAC name of 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene (CID 172640775) is 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene.
What is the SMILES notation for 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene?
The canonical SMILES for 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene is CC1=C(C)C(C)(C)C2c3ccccc3C(C)(C)C12.
What is the InChIKey of 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene?
The InChIKey is CQFRBUDXBYHSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-11-12(2)17(3,4)16-13-9-7-8-10-14(13)18(5,6)15(11)16/h7-10,15-16H,1-6H3.
What are the key properties of 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene?
1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene has a molecular weight of 240.39 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene is sourced from PubChem (CID 172640775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).