undec-10-enyl (E)-hex-3-enoate

C17H30O2 — CID 10801740

IUPACundec-10-enyl (E)-hex-3-enoate
SMILESC=CCCCCCCCCCOC(=O)C/C=C/CC
InChIInChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-14-16-19-17(18)15-13-6-4-2/h3,6,13H,1,4-5,7-12,14-16H2,2H3/b13-6+
InChIKeyOHRSVBHNMFWAOE-AWNIVKPZSA-N
MW266.42 g/mol
LogP5.19
Rot. Bonds13

About undec-10-enyl (E)-hex-3-enoate

undec-10-enyl (E)-hex-3-enoate (PubChem CID 10801740) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is undec-10-enyl (E)-hex-3-enoate.

Molecular Properties

Compound Nameundec-10-enyl (E)-hex-3-enoate
PubChem CID10801740
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Nameundec-10-enyl (E)-hex-3-enoate
SMILESC=CCCCCCCCCCOC(=O)C/C=C/CC
InChIInChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-14-16-19-17(18)15-13-6-4-2/h3,6,13H,1,4-5,7-12,14-16H2,2H3/b13-6+
InChIKeyOHRSVBHNMFWAOE-AWNIVKPZSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.19
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

dec-9-enyl (E)-hex-3-enoate
CID 10706003
hex-3-enyl dec-9-enoate
CID 139415626
heptyl hept-6-enoate
CID 129220829
hept-6-enyl nonanoate
CID 146588194
hex-5-enyl decanoate
CID 166881880
hexyl oct-7-enoate
CID 91748282
hept-6-enyl hexacosanoate
CID 102118795
dec-9-enyl (Z)-octadec-9-enoate
CID 10526177
ethane;hexyl dec-9-enoate
CID 142461660
1-O-heptadecyl 5-O-pent-4-enyl pentanedioate
CID 91706418
nonyl (E)-oct-3-enoate
CID 91691438
heptyl (E)-oct-3-enoate
CID 91693487

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl (E)-hex-3-enoate?
The IUPAC name of undec-10-enyl (E)-hex-3-enoate (CID 10801740) is undec-10-enyl (E)-hex-3-enoate.
What is the SMILES notation for undec-10-enyl (E)-hex-3-enoate?
The canonical SMILES for undec-10-enyl (E)-hex-3-enoate is C=CCCCCCCCCCOC(=O)C/C=C/CC.
What is the InChIKey of undec-10-enyl (E)-hex-3-enoate?
The InChIKey is OHRSVBHNMFWAOE-AWNIVKPZSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-14-16-19-17(18)15-13-6-4-2/h3,6,13H,1,4-5,7-12,14-16H2,2H3/b13-6+.
What are the key properties of undec-10-enyl (E)-hex-3-enoate?
undec-10-enyl (E)-hex-3-enoate has a molecular weight of 266.42 g/mol, XLogP of 5.19, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl (E)-hex-3-enoate is sourced from PubChem (CID 10801740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).