undec-10-enyl undec-10-enoate

C22H40O2 — CID 10759343

IUPACundec-10-enyl undec-10-enoate
SMILESC=CCCCCCCCCCOC(=O)CCCCCCCCC=C
InChIInChI=1S/C22H40O2/c1-3-5-7-9-11-13-15-17-19-21-24-22(23)20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-21H2
InChIKeyMWWZPNNAYJXQLD-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.14
Rot. Bonds19

About undec-10-enyl undec-10-enoate

undec-10-enyl undec-10-enoate (PubChem CID 10759343) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is undec-10-enyl undec-10-enoate.

Molecular Properties

Compound Nameundec-10-enyl undec-10-enoate
PubChem CID10759343
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Nameundec-10-enyl undec-10-enoate
SMILESC=CCCCCCCCCCOC(=O)CCCCCCCCC=C
InChIInChI=1S/C22H40O2/c1-3-5-7-9-11-13-15-17-19-21-24-22(23)20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-21H2
InChIKeyMWWZPNNAYJXQLD-UHFFFAOYSA-N
XLogP7.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.14
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

Ethyl Oleate
CID 5363269
Methyl Oleate
CID 5364509
Methyl linoleate
CID 5284421
Butyl Oleate
CID 5354342
Ethyl linolenate
CID 5367460
Polyoxyethylene dioleate
CID 5378708
Ethyl 10-undecenoate
CID 12729
Butyl 10-undecenoate
CID 61027
Methyl 10-undecenoate
CID 8138
Oxacycloheptadec-8-en-2-one, (8Z)-
CID 5365703
Allyl 10-undecenoate
CID 61412
Isoambrettolide, (Z)-
CID 5355293

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl undec-10-enoate?
The IUPAC name of undec-10-enyl undec-10-enoate (CID 10759343) is undec-10-enyl undec-10-enoate.
What is the SMILES notation for undec-10-enyl undec-10-enoate?
The canonical SMILES for undec-10-enyl undec-10-enoate is C=CCCCCCCCCCOC(=O)CCCCCCCCC=C.
What is the InChIKey of undec-10-enyl undec-10-enoate?
The InChIKey is MWWZPNNAYJXQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-3-5-7-9-11-13-15-17-19-21-24-22(23)20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-21H2.
What are the key properties of undec-10-enyl undec-10-enoate?
undec-10-enyl undec-10-enoate has a molecular weight of 336.56 g/mol, XLogP of 7.14, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl undec-10-enoate is sourced from PubChem (CID 10759343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).