18-methylnonadecanal

C20H40O — CID 22123977

IUPAC18-methylnonadecanal
SMILESCC(C)CCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C20H40O/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h19-20H,3-18H2,1-2H3
InChIKeyZRCRFMSERFXESL-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.08
Rot. Bonds17

About 18-methylnonadecanal

18-methylnonadecanal (PubChem CID 22123977) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 18-methylnonadecanal.

Molecular Properties

Compound Name18-methylnonadecanal
PubChem CID22123977
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name18-methylnonadecanal
SMILESCC(C)CCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C20H40O/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h19-20H,3-18H2,1-2H3
InChIKeyZRCRFMSERFXESL-UHFFFAOYSA-N
XLogP7.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.08
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'}

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Related Compounds

12-methyltridecanal
CID 146297718
22-methyltricosanal
CID 86049143
methane;12-methyltridecanal
CID 175307429
alumane;6-methylheptanal
CID 174999973
disodium;hydride;16-methylheptadecanal;propanoic acid
CID 174913733
12-hydroxytridecanal
CID 11961599
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-13-methyltetradec-2-enal
CID 11333582
2,22-dimethyltricosane
CID 58100191
pentadecanedial
CID 22887412
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647

Frequently Asked Questions

What is the IUPAC name of 18-methylnonadecanal?
The IUPAC name of 18-methylnonadecanal (CID 22123977) is 18-methylnonadecanal.
What is the SMILES notation for 18-methylnonadecanal?
The canonical SMILES for 18-methylnonadecanal is CC(C)CCCCCCCCCCCCCCCCC=O.
What is the InChIKey of 18-methylnonadecanal?
The InChIKey is ZRCRFMSERFXESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h19-20H,3-18H2,1-2H3.
What are the key properties of 18-methylnonadecanal?
18-methylnonadecanal has a molecular weight of 296.54 g/mol, XLogP of 7.08, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methylnonadecanal is sourced from PubChem (CID 22123977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).