1-[methyl(propan-2-yl)phosphoryl]nonane

C13H29OP — CID 167168561

IUPAC1-[methyl(propan-2-yl)phosphoryl]nonane
SMILESCCCCCCCCCP(C)(=O)C(C)C
InChIInChI=1S/C13H29OP/c1-5-6-7-8-9-10-11-12-15(4,14)13(2)3/h13H,5-12H2,1-4H3
InChIKeyNAKNUCRZUSALRL-UHFFFAOYSA-N
MW232.35 g/mol
LogP5.14
Rot. Bonds9

About 1-[methyl(propan-2-yl)phosphoryl]nonane

1-[methyl(propan-2-yl)phosphoryl]nonane (PubChem CID 167168561) has the molecular formula C13H29OP and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[methyl(propan-2-yl)phosphoryl]nonane.

Molecular Properties

Compound Name1-[methyl(propan-2-yl)phosphoryl]nonane
PubChem CID167168561
Molecular FormulaC13H29OP
Molecular Weight232.35 g/mol
Exact Mass232.20
IUPAC Name1-[methyl(propan-2-yl)phosphoryl]nonane
SMILESCCCCCCCCCP(C)(=O)C(C)C
InChIInChI=1S/C13H29OP/c1-5-6-7-8-9-10-11-12-15(4,14)13(2)3/h13H,5-12H2,1-4H3
InChIKeyNAKNUCRZUSALRL-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-di(propan-2-yl)phosphorylhexane
CID 118005935
1-di(propan-2-yl)phosphoryloctane;phosphane;hydrate
CID 163644954
1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane
CID 54423327
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
1-[chloro(methyl)phosphoryl]tetradecane
CID 54104937
1-di(butan-2-yl)phosphoryloctane
CID 85086346
1-di(butan-2-yl)phosphorylheptane
CID 11276975
magnesium methyl(octyl)phosphinate
CID 176884397
1-[decyl(methyl)phosphoryl]oxydecane
CID 174626419
1-[methyl(octadecyl)phosphoryl]oxyoctadecane
CID 174492460
1-di(propan-2-yloxy)phosphoryltetracosane
CID 23336035

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propan-2-yl)phosphoryl]nonane?
The IUPAC name of 1-[methyl(propan-2-yl)phosphoryl]nonane (CID 167168561) is 1-[methyl(propan-2-yl)phosphoryl]nonane.
What is the SMILES notation for 1-[methyl(propan-2-yl)phosphoryl]nonane?
The canonical SMILES for 1-[methyl(propan-2-yl)phosphoryl]nonane is CCCCCCCCCP(C)(=O)C(C)C.
What is the InChIKey of 1-[methyl(propan-2-yl)phosphoryl]nonane?
The InChIKey is NAKNUCRZUSALRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29OP/c1-5-6-7-8-9-10-11-12-15(4,14)13(2)3/h13H,5-12H2,1-4H3.
What are the key properties of 1-[methyl(propan-2-yl)phosphoryl]nonane?
1-[methyl(propan-2-yl)phosphoryl]nonane has a molecular weight of 232.35 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propan-2-yl)phosphoryl]nonane is sourced from PubChem (CID 167168561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).