dec-8-enyl acetate

C12H22O2 — CID 73186998

IUPACdec-8-enyl acetate
SMILESCC=CCCCCCCCOC(C)=O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-4H,5-11H2,1-2H3
InChIKeyDZCPAVYVIWZVOH-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.47
Rot. Bonds8

About dec-8-enyl acetate

dec-8-enyl acetate (PubChem CID 73186998) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is dec-8-enyl acetate.

Molecular Properties

Compound Namedec-8-enyl acetate
PubChem CID73186998
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namedec-8-enyl acetate
SMILESCC=CCCCCCCCOC(C)=O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-4H,5-11H2,1-2H3
InChIKeyDZCPAVYVIWZVOH-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tridec-11-enyl acetate
CID 537063
[(E)-tetradec-12-enyl] acetate
CID 5365773
[(10Z,14Z)-hexadeca-10,14-dienyl] acetate
CID 102055670
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
20-acetyloxyicos-11-enyl acetate
CID 537116
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(E)-8-iodooct-7-enyl] acetate
CID 14157625
pent-3-enyl acetate
CID 54089070
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
hexadec-8-enyl acetate
CID 538136

Frequently Asked Questions

What is the IUPAC name of dec-8-enyl acetate?
The IUPAC name of dec-8-enyl acetate (CID 73186998) is dec-8-enyl acetate.
What is the SMILES notation for dec-8-enyl acetate?
The canonical SMILES for dec-8-enyl acetate is CC=CCCCCCCCOC(C)=O.
What is the InChIKey of dec-8-enyl acetate?
The InChIKey is DZCPAVYVIWZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-4H,5-11H2,1-2H3.
What are the key properties of dec-8-enyl acetate?
dec-8-enyl acetate has a molecular weight of 198.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-8-enyl acetate is sourced from PubChem (CID 73186998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).