(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol

C15H24O — CID 14167239

IUPAC(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol
SMILESCC1=CCCC(C)(C)C1/C=C/C(C)=C/CO
InChIInChI=1S/C15H24O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h6-9,14,16H,5,10-11H2,1-4H3/b8-7+,12-9+
InChIKeyZIPASMKGTOANJX-ANKZSMJWSA-N
MW220.36 g/mol
LogP3.86
Rot. Bonds3

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

(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol (PubChem CID 14167239) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol
PubChem CID14167239
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol
SMILESCC1=CCCC(C)(C)C1/C=C/C(C)=C/CO
InChIInChI=1S/C15H24O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h6-9,14,16H,5,10-11H2,1-4H3/b8-7+,12-9+
InChIKeyZIPASMKGTOANJX-ANKZSMJWSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol (CID 14167239) is (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol is CC1=CCCC(C)(C)C1/C=C/C(C)=C/CO.
What is the InChIKey of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol?
The InChIKey is ZIPASMKGTOANJX-ANKZSMJWSA-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/h6-9,14,16H,5,10-11H2,1-4H3/b8-7+,12-9+.
What are the key properties of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol?
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-ol is sourced from PubChem (CID 14167239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).