hex-3-enyl nonanoate

C15H28O2 — CID 86233547

IUPAChex-3-enyl nonanoate
SMILESCCC=CCCOC(=O)CCCCCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-14H2,1-2H3
InChIKeyIUYCKYXEGRHRME-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About hex-3-enyl nonanoate

hex-3-enyl nonanoate (PubChem CID 86233547) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is hex-3-enyl nonanoate.

Molecular Properties

Compound Namehex-3-enyl nonanoate
PubChem CID86233547
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namehex-3-enyl nonanoate
SMILESCCC=CCCOC(=O)CCCCCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-14H2,1-2H3
InChIKeyIUYCKYXEGRHRME-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
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

[(Z)-hex-3-enyl] octanoate
CID 5352267
6-O-[(E)-hex-3-enyl] 1-O-tridecyl hexanedioate
CID 91697998
1-O-decyl 4-O-[(E)-hex-3-enyl] butanedioate
CID 91697886
4-O-[(Z)-hex-3-enyl] 1-O-nonyl butanedioate
CID 91697895
[(E)-hept-3-enyl] pentacosanoate
CID 102118785
hex-3-enyl 8-bromooctanoate
CID 175496519
1-O-butyl 10-O-[(Z)-non-3-enyl] decanedioate
CID 91712182
6-O-[(Z)-non-3-enyl] 1-O-nonyl hexanedioate
CID 91713684
[(E)-dec-3-enyl] (E)-dec-5-enoate
CID 172558184
3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropyl (9Z,12Z)-octadeca-9,12-dienoate
CID 155253579
decyl octadeca-9,12,15-trienoate
CID 54331899
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] tetradecanoate
CID 56935933

Frequently Asked Questions

What is the IUPAC name of hex-3-enyl nonanoate?
The IUPAC name of hex-3-enyl nonanoate (CID 86233547) is hex-3-enyl nonanoate.
What is the SMILES notation for hex-3-enyl nonanoate?
The canonical SMILES for hex-3-enyl nonanoate is CCC=CCCOC(=O)CCCCCCCC.
What is the InChIKey of hex-3-enyl nonanoate?
The InChIKey is IUYCKYXEGRHRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-14H2,1-2H3.
What are the key properties of hex-3-enyl nonanoate?
hex-3-enyl nonanoate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-enyl nonanoate is sourced from PubChem (CID 86233547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).