3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol

C15H24O — CID 53425840

IUPAC3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol
SMILESCC(C=CC1=C(C)CCCC1(C)C)=CCO
InChIInChI=1S/C15H24O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9,16H,5-6,10-11H2,1-4H3
InChIKeyVSMDCVLKAAVJFW-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds3

About 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol

3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol (PubChem CID 53425840) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol
PubChem CID53425840
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol
SMILESCC(C=CC1=C(C)CCCC1(C)C)=CCO
InChIInChI=1S/C15H24O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9,16H,5-6,10-11H2,1-4H3
InChIKeyVSMDCVLKAAVJFW-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol?
The IUPAC name of 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol (CID 53425840) is 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol.
What is the SMILES notation for 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol?
The canonical SMILES for 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol is CC(C=CC1=C(C)CCCC1(C)C)=CCO.
What is the InChIKey of 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol?
The InChIKey is VSMDCVLKAAVJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9,16H,5-6,10-11H2,1-4H3.
What are the key properties of 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol?
3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol is sourced from PubChem (CID 53425840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).