[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate

C26H44O2 — CID 148829427

IUPAC[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)OC(=O)CC1CCCCC1
InChIInChI=1S/C26H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-17-24(5)28-26(27)20-25-18-7-6-8-19-25/h12,14,16,24-25H,6-11,13,15,17-20H2,1-5H3/b22-14+,23-16+
InChIKeyOTJMQGFJHHGFHI-SUMSNFAJSA-N
MW388.64 g/mol
LogP8.09
Rot. Bonds12

About [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate

[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate (PubChem CID 148829427) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate
PubChem CID148829427
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)OC(=O)CC1CCCCC1
InChIInChI=1S/C26H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-17-24(5)28-26(27)20-25-18-7-6-8-19-25/h12,14,16,24-25H,6-11,13,15,17-20H2,1-5H3/b22-14+,23-16+
InChIKeyOTJMQGFJHHGFHI-SUMSNFAJSA-N
XLogP8.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate with MolForge

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Related Compounds

[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cycloheptylacetate
CID 149399642
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate
CID 89476445
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate
CID 6391709
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] butanoate
CID 147657176
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 3-methylbutanoate
CID 146825846
(5E,9E)-1-[bis[(2-cyclohexylacetyl)oxymethoxy]phosphoryl]-6,10,14-trimethylpentadeca-5,9,13-triene-1-sulfonic acid
CID 10604896
6-methylhept-5-en-2-yl propanoate
CID 3020294
[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate
CID 11043303
5-(6-methylhept-5-en-2-yloxy)-5-oxopentanoic acid
CID 86071401
tricyclohexyl(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphanium bromide
CID 160956477
methyl (5E,9E)-11-cyclohexyl-6,10-dimethyl-2-methylideneundeca-5,9-dienoate
CID 155213089
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589

Frequently Asked Questions

What is the IUPAC name of [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate?
The IUPAC name of [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate (CID 148829427) is [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate.
What is the SMILES notation for [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate?
The canonical SMILES for [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)OC(=O)CC1CCCCC1.
What is the InChIKey of [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate?
The InChIKey is OTJMQGFJHHGFHI-SUMSNFAJSA-N. The full InChI is InChI=1S/C26H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-17-24(5)28-26(27)20-25-18-7-6-8-19-25/h12,14,16,24-25H,6-11,13,15,17-20H2,1-5H3/b22-14+,23-16+.
What are the key properties of [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate?
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate has a molecular weight of 388.64 g/mol, XLogP of 8.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate is sourced from PubChem (CID 148829427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).