[(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate

C22H38O2 — CID 87224925

IUPAC[(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate
SMILESCC(=O)OC(C/C=C(\C)CCC=C(C)C)CC(C)CCC=C(C)C
InChIInChI=1S/C22H38O2/c1-17(2)10-8-12-19(5)14-15-22(24-21(7)23)16-20(6)13-9-11-18(3)4/h10-11,14,20,22H,8-9,12-13,15-16H2,1-7H3/b19-14+
InChIKeySUUMTUHUNHESCS-XMHGGMMESA-N
MW334.54 g/mol
LogP6.77
Rot. Bonds11

About [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate

[(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate (PubChem CID 87224925) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate.

Molecular Properties

Compound Name[(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate
PubChem CID87224925
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name[(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate
SMILESCC(=O)OC(C/C=C(\C)CCC=C(C)C)CC(C)CCC=C(C)C
InChIInChI=1S/C22H38O2/c1-17(2)10-8-12-19(5)14-15-22(24-21(7)23)16-20(6)13-9-11-18(3)4/h10-11,14,20,22H,8-9,12-13,15-16H2,1-7H3/b19-14+
InChIKeySUUMTUHUNHESCS-XMHGGMMESA-N
XLogP6.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 9017
Citronellyl propionate
CID 8834
Citronellyl isobutyrate
CID 60985
Citronellol acetate, (S)-
CID 6999975
6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-
CID 6708682
3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate
CID 110929
Myaldyl acetate
CID 3085812
2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propyl acetate
CID 10521540
11,13-Dimethyl-12-tetradecen-1-yl acetate
CID 549821
7-Methyl-Z-tetradecen-1-ol acetate
CID 5363222
[(1S,4E,7R,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl] acetate
CID 122179338
4-Methyl-3-heptyl linoleate
CID 56936029

Frequently Asked Questions

What is the IUPAC name of [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate?
The IUPAC name of [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate (CID 87224925) is [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate.
What is the SMILES notation for [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate?
The canonical SMILES for [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate is CC(=O)OC(C/C=C(\C)CCC=C(C)C)CC(C)CCC=C(C)C.
What is the InChIKey of [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate?
The InChIKey is SUUMTUHUNHESCS-XMHGGMMESA-N. The full InChI is InChI=1S/C22H38O2/c1-17(2)10-8-12-19(5)14-15-22(24-21(7)23)16-20(6)13-9-11-18(3)4/h10-11,14,20,22H,8-9,12-13,15-16H2,1-7H3/b19-14+.
What are the key properties of [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate?
[(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate has a molecular weight of 334.54 g/mol, XLogP of 6.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-yl] acetate is sourced from PubChem (CID 87224925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).