4-methylnonan-5-ol;tetradec-11-enal

C24H48O2 — CID 173274081

IUPAC4-methylnonan-5-ol;tetradec-11-enal
SMILESCCC=CCCCCCCCCCC=O.CCCCC(O)C(C)CCC
InChIInChI=1S/C14H26O.C10H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-6-8-10(11)9(3)7-5-2/h3-4,14H,2,5-13H2,1H3;9-11H,4-8H2,1-3H3
InChIKeyDJFJVTSXFQRQMF-UHFFFAOYSA-N
MW368.65 g/mol
LogP7.64
Rot. Bonds17

About 4-methylnonan-5-ol;tetradec-11-enal

4-methylnonan-5-ol;tetradec-11-enal (PubChem CID 173274081) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 4-methylnonan-5-ol;tetradec-11-enal.

Molecular Properties

Compound Name4-methylnonan-5-ol;tetradec-11-enal
PubChem CID173274081
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name4-methylnonan-5-ol;tetradec-11-enal
SMILESCCC=CCCCCCCCCCC=O.CCCCC(O)C(C)CCC
InChIInChI=1S/C14H26O.C10H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-6-8-10(11)9(3)7-5-2/h3-4,14H,2,5-13H2,1H3;9-11H,4-8H2,1-3H3
InChIKeyDJFJVTSXFQRQMF-UHFFFAOYSA-N
XLogP7.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-heptadec-14-enal
CID 5367667
(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
(E)-10,15-dimethyltricos-3-ene
CID 173194599
(Z)-octacos-19-ene-10,11-diol
CID 87651448

Frequently Asked Questions

What is the IUPAC name of 4-methylnonan-5-ol;tetradec-11-enal?
The IUPAC name of 4-methylnonan-5-ol;tetradec-11-enal (CID 173274081) is 4-methylnonan-5-ol;tetradec-11-enal.
What is the SMILES notation for 4-methylnonan-5-ol;tetradec-11-enal?
The canonical SMILES for 4-methylnonan-5-ol;tetradec-11-enal is CCC=CCCCCCCCCCC=O.CCCCC(O)C(C)CCC.
What is the InChIKey of 4-methylnonan-5-ol;tetradec-11-enal?
The InChIKey is DJFJVTSXFQRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.C10H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4-6-8-10(11)9(3)7-5-2/h3-4,14H,2,5-13H2,1H3;9-11H,4-8H2,1-3H3.
What are the key properties of 4-methylnonan-5-ol;tetradec-11-enal?
4-methylnonan-5-ol;tetradec-11-enal has a molecular weight of 368.65 g/mol, XLogP of 7.64, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnonan-5-ol;tetradec-11-enal is sourced from PubChem (CID 173274081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).