2-methyl-2-phosphanylpentanal

C6H13OP — CID 145198471

IUPAC2-methyl-2-phosphanylpentanal
SMILESCCCC(C)(P)C=O
InChIInChI=1S/C6H13OP/c1-3-4-6(2,8)5-7/h5H,3-4,8H2,1-2H3
InChIKeyFVSYZYQHBSIANE-UHFFFAOYSA-N
MW132.14 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-2-phosphanylpentanal

2-methyl-2-phosphanylpentanal (PubChem CID 145198471) has the molecular formula C6H13OP and a molecular weight of 132.14 g/mol. Its IUPAC name is 2-methyl-2-phosphanylpentanal.

Molecular Properties

Compound Name2-methyl-2-phosphanylpentanal
PubChem CID145198471
Molecular FormulaC6H13OP
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name2-methyl-2-phosphanylpentanal
SMILESCCCC(C)(P)C=O
InChIInChI=1S/C6H13OP/c1-3-4-6(2,8)5-7/h5H,3-4,8H2,1-2H3
InChIKeyFVSYZYQHBSIANE-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-propylpentanal
CID 12587446
2-methyl-2-propylpropanedial
CID 87392571
(2R)-2-amino-2-methylhexanal
CID 144823365
(2R)-2-amino-2-methylnonanal
CID 145052924
2-amino-2-methylundecanal
CID 175716419
N-(4-methylheptan-4-yl)formamide
CID 54483706
2-methylpentan-2-ylphosphane;hydrochloride
CID 139434138
2,2-diamino-3-methyl-3-propylbutanedial
CID 140993970
2,2-di(propan-2-yl)pentanal
CID 90416736
2-(hydroxymethyl)-2-propylpentanal
CID 90738055
CID 59070082
CID 59070082
CID 101008751
CID 101008751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phosphanylpentanal?
The IUPAC name of 2-methyl-2-phosphanylpentanal (CID 145198471) is 2-methyl-2-phosphanylpentanal.
What is the SMILES notation for 2-methyl-2-phosphanylpentanal?
The canonical SMILES for 2-methyl-2-phosphanylpentanal is CCCC(C)(P)C=O.
What is the InChIKey of 2-methyl-2-phosphanylpentanal?
The InChIKey is FVSYZYQHBSIANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OP/c1-3-4-6(2,8)5-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-methyl-2-phosphanylpentanal?
2-methyl-2-phosphanylpentanal has a molecular weight of 132.14 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phosphanylpentanal is sourced from PubChem (CID 145198471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).