dec-1-enyl 2-methylpropanoate

C14H26O2 — CID 86042241

IUPACdec-1-enyl 2-methylpropanoate
SMILESCCCCCCCCC=COC(=O)C(C)C
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h11-13H,4-10H2,1-3H3
InChIKeyDTNFIECGICCOMX-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.45
Rot. Bonds9

About dec-1-enyl 2-methylpropanoate

dec-1-enyl 2-methylpropanoate (PubChem CID 86042241) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is dec-1-enyl 2-methylpropanoate.

Molecular Properties

Compound Namedec-1-enyl 2-methylpropanoate
PubChem CID86042241
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namedec-1-enyl 2-methylpropanoate
SMILESCCCCCCCCC=COC(=O)C(C)C
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h11-13H,4-10H2,1-3H3
InChIKeyDTNFIECGICCOMX-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Heptenyl acetate
CID 118827
Octen-1-ol, acetate
CID 5352540
Hept-1-enyl acetate
CID 5463146
Octen-1-ol acetate
CID 520583
1-Dodecen-1-ol, acetate
CID 5363334
(z)-Decenyl acetate
CID 13396782
Decaen-1-yl acetate
CID 53977245
Oct-1-EN-1-YL butanoate
CID 71385286
[(Z)-7-methyltetradec-1-enyl] acetate
CID 129848071
Hexadec-1-en-1-yl acetate
CID 613642
[(E)-dec-1-enyl] acetate
CID 13396781
Hex-1-en-1-yl 3-methylbutanoate
CID 71406770

Frequently Asked Questions

What is the IUPAC name of dec-1-enyl 2-methylpropanoate?
The IUPAC name of dec-1-enyl 2-methylpropanoate (CID 86042241) is dec-1-enyl 2-methylpropanoate.
What is the SMILES notation for dec-1-enyl 2-methylpropanoate?
The canonical SMILES for dec-1-enyl 2-methylpropanoate is CCCCCCCCC=COC(=O)C(C)C.
What is the InChIKey of dec-1-enyl 2-methylpropanoate?
The InChIKey is DTNFIECGICCOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of dec-1-enyl 2-methylpropanoate?
dec-1-enyl 2-methylpropanoate has a molecular weight of 226.36 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-enyl 2-methylpropanoate is sourced from PubChem (CID 86042241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).