1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol

C15H24O — CID 22297658

IUPAC1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol
SMILESCC1(O)C=CCC(C2(C)CCCC2(C)C)=C1
InChIInChI=1S/C15H24O/c1-13(2)8-6-10-15(13,4)12-7-5-9-14(3,16)11-12/h5,9,11,16H,6-8,10H2,1-4H3
InChIKeyKGEJQMONAJVDHR-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds1

About 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol

1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol (PubChem CID 22297658) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol
PubChem CID22297658
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol
SMILESCC1(O)C=CCC(C2(C)CCCC2(C)C)=C1
InChIInChI=1S/C15H24O/c1-13(2)8-6-10-15(13,4)12-7-5-9-14(3,16)11-12/h5,9,11,16H,6-8,10H2,1-4H3
InChIKeyKGEJQMONAJVDHR-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol?
The IUPAC name of 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol (CID 22297658) is 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol?
The canonical SMILES for 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol is CC1(O)C=CCC(C2(C)CCCC2(C)C)=C1.
What is the InChIKey of 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol?
The InChIKey is KGEJQMONAJVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)8-6-10-15(13,4)12-7-5-9-14(3,16)11-12/h5,9,11,16H,6-8,10H2,1-4H3.
What are the key properties of 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol?
1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 22297658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).