(9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal

C30H54O — CID 140786864

IUPAC(9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal
SMILESCCCC/C=C\C(\C=C\CCCCCCCCCCCC)=C/CCCCCCCC=O
InChIInChI=1S/C30H54O/c1-3-5-7-9-10-11-12-13-14-16-19-23-27-30(26-22-8-6-4-2)28-24-20-17-15-18-21-25-29-31/h22-23,26-29H,3-21,24-25H2,1-2H3/b26-22-,27-23+,30-28+
InChIKeyRPNJYMIGQVUAFE-CXUBESKMSA-N
MW430.76 g/mol
LogP10.46
Rot. Bonds24

About (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal

(9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal (PubChem CID 140786864) has the molecular formula C30H54O and a molecular weight of 430.76 g/mol. Its IUPAC name is (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal.

Molecular Properties

Compound Name(9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal
PubChem CID140786864
Molecular FormulaC30H54O
Molecular Weight430.76 g/mol
Exact Mass430.42
IUPAC Name(9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal
SMILESCCCC/C=C\C(\C=C\CCCCCCCCCCCC)=C/CCCCCCCC=O
InChIInChI=1S/C30H54O/c1-3-5-7-9-10-11-12-13-14-16-19-23-27-30(26-22-8-6-4-2)28-24-20-17-15-18-21-25-29-31/h22-23,26-29H,3-21,24-25H2,1-2H3/b26-22-,27-23+,30-28+
InChIKeyRPNJYMIGQVUAFE-CXUBESKMSA-N
XLogP10.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octadec-13-enal
CID 5367670
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
hexadeca-7,11-dienal
CID 543335
(6E,12E)-octadeca-6,12-dienal
CID 10220937
decanal;decane
CID 157361056

Frequently Asked Questions

What is the IUPAC name of (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal?
The IUPAC name of (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal (CID 140786864) is (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal.
What is the SMILES notation for (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal?
The canonical SMILES for (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal is CCCC/C=C\C(\C=C\CCCCCCCCCCCC)=C/CCCCCCCC=O.
What is the InChIKey of (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal?
The InChIKey is RPNJYMIGQVUAFE-CXUBESKMSA-N. The full InChI is InChI=1S/C30H54O/c1-3-5-7-9-10-11-12-13-14-16-19-23-27-30(26-22-8-6-4-2)28-24-20-17-15-18-21-25-29-31/h22-23,26-29H,3-21,24-25H2,1-2H3/b26-22-,27-23+,30-28+.
What are the key properties of (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal?
(9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal has a molecular weight of 430.76 g/mol, XLogP of 10.46, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal is sourced from PubChem (CID 140786864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).