2-methyldecanal

C11H22O — CID 29381

IUPAC2-methyldecanal
SMILESCCCCCCCCC(C)C=O
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12/h10-11H,3-9H2,1-2H3
InChIKeyLBICMZLDYMBIGA-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.57
Rot. Bonds8

About 2-methyldecanal

2-methyldecanal (PubChem CID 29381) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-methyldecanal.

Molecular Properties

Compound Name2-methyldecanal
PubChem CID29381
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-methyldecanal
SMILESCCCCCCCCC(C)C=O
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12/h10-11H,3-9H2,1-2H3
InChIKeyLBICMZLDYMBIGA-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.57
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

Nonanal
CID 31289
Decanal
CID 8175
Tetradecanal
CID 31291
Octanal
CID 454
Dodecanal
CID 8194
2-Ethylhexanal
CID 31241
Undecanal
CID 8186
2-Methylundecanal
CID 61031
Pentadecanal
CID 17697
3,7-Dimethyloctanal
CID 110747
Tridecanal
CID 25311
2-Methyloctanal
CID 24583

Frequently Asked Questions

What is the IUPAC name of 2-methyldecanal?
The IUPAC name of 2-methyldecanal (CID 29381) is 2-methyldecanal.
What is the SMILES notation for 2-methyldecanal?
The canonical SMILES for 2-methyldecanal is CCCCCCCCC(C)C=O.
What is the InChIKey of 2-methyldecanal?
The InChIKey is LBICMZLDYMBIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-methyldecanal?
2-methyldecanal has a molecular weight of 170.30 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecanal is sourced from PubChem (CID 29381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).