2-methylundec-10-enal

C12H22O — CID 547085

IUPAC2-methylundec-10-enal
SMILESC=CCCCCCCCC(C)C=O
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h3,11-12H,1,4-10H2,2H3
InChIKeyUWJZCNTXKQOKSA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.74
Rot. Bonds9

About 2-methylundec-10-enal

2-methylundec-10-enal (PubChem CID 547085) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methylundec-10-enal.

Molecular Properties

Compound Name2-methylundec-10-enal
PubChem CID547085
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-methylundec-10-enal
SMILESC=CCCCCCCCC(C)C=O
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h3,11-12H,1,4-10H2,2H3
InChIKeyUWJZCNTXKQOKSA-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.74
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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26-methylheptacos-1-ene
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14-methyl-15-oxopentadec-2-enoic acid
CID 163045646
2-methyldecanal;undecanal
CID 159845344
2-methylundecanal;tetradecanal
CID 87951053
2-methyldodecanal
CID 87784106
2-propyldodec-11-enal
CID 142653916
9-hydroxy-2-methylnonanal
CID 140839746
15-hydroxy-2-methylpentadecanal
CID 140839749
12-propan-2-yltricosa-1,22-diene
CID 102161324
22-methyltricosa-2,4-dienedial
CID 123901911

Frequently Asked Questions

What is the IUPAC name of 2-methylundec-10-enal?
The IUPAC name of 2-methylundec-10-enal (CID 547085) is 2-methylundec-10-enal.
What is the SMILES notation for 2-methylundec-10-enal?
The canonical SMILES for 2-methylundec-10-enal is C=CCCCCCCCC(C)C=O.
What is the InChIKey of 2-methylundec-10-enal?
The InChIKey is UWJZCNTXKQOKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 2-methylundec-10-enal?
2-methylundec-10-enal has a molecular weight of 182.31 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundec-10-enal is sourced from PubChem (CID 547085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).