hex-5-enyl decanoate

C16H30O2 — CID 166881880

IUPAChex-5-enyl decanoate
SMILESC=CCCCCOC(=O)CCCCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h4H,2-3,5-15H2,1H3
InChIKeyFMKNWFZGWQVVMH-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds13

About hex-5-enyl decanoate

hex-5-enyl decanoate (PubChem CID 166881880) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is hex-5-enyl decanoate.

Molecular Properties

Compound Namehex-5-enyl decanoate
PubChem CID166881880
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Namehex-5-enyl decanoate
SMILESC=CCCCCOC(=O)CCCCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h4H,2-3,5-15H2,1H3
InChIKeyFMKNWFZGWQVVMH-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.03
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

hexyl oct-7-enoate
CID 91748282
hept-6-enyl nonanoate
CID 146588194
heptyl hept-6-enoate
CID 129220829
hept-6-enyl hexacosanoate
CID 102118795
ethane;hexyl dec-9-enoate
CID 142461660
dec-9-enyl (Z)-octadec-9-enoate
CID 10526177
1-O-heptadecyl 5-O-pent-4-enyl pentanedioate
CID 91706418
but-3-enyl heptanoate
CID 539056
octadecyl icosanoate;prop-2-en-1-amine
CID 174367703
hexadec-9-enyl decanoate
CID 54234021
[(Z)-hexadec-9-enyl] tritriacontanoate
CID 168953401
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622

Frequently Asked Questions

What is the IUPAC name of hex-5-enyl decanoate?
The IUPAC name of hex-5-enyl decanoate (CID 166881880) is hex-5-enyl decanoate.
What is the SMILES notation for hex-5-enyl decanoate?
The canonical SMILES for hex-5-enyl decanoate is C=CCCCCOC(=O)CCCCCCCCC.
What is the InChIKey of hex-5-enyl decanoate?
The InChIKey is FMKNWFZGWQVVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h4H,2-3,5-15H2,1H3.
What are the key properties of hex-5-enyl decanoate?
hex-5-enyl decanoate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enyl decanoate is sourced from PubChem (CID 166881880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).