(4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one

C11H23O4P — CID 10753288

IUPAC(4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one
SMILESCCCC[C@H](C)C[14C](=O)CP(=O)(OC)OC
InChIInChI=1S/C11H23O4P/c1-5-6-7-10(2)8-11(12)9-16(13,14-3)15-4/h10H,5-9H2,1-4H3/t10-/m0/s1/i11+2
InChIKeyOGGRBKUQRPKXIC-PSLNOTSYSA-N
MW252.27 g/mol
LogP3.26
Rot. Bonds9

About (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one

(4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one (PubChem CID 10753288) has the molecular formula C11H23O4P and a molecular weight of 252.27 g/mol. Its IUPAC name is (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one.

Molecular Properties

Compound Name(4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one
PubChem CID10753288
Molecular FormulaC11H23O4P
Molecular Weight252.27 g/mol
Exact Mass252.14
IUPAC Name(4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one
SMILESCCCC[C@H](C)C[14C](=O)CP(=O)(OC)OC
InChIInChI=1S/C11H23O4P/c1-5-6-7-10(2)8-11(12)9-16(13,14-3)15-4/h10H,5-9H2,1-4H3/t10-/m0/s1/i11+2
InChIKeyOGGRBKUQRPKXIC-PSLNOTSYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methoxy(methyl)phosphoryl]hexane
CID 87946542
1-[butyl-(4-methoxy-2-methylbutoxy)phosphoryl]oxy-4-methoxy-2-methylbutane
CID 91701478
calcium;hydride;3-methylheptane
CID 174879723
1-dimethoxyphosphoryltridecan-2-ol
CID 15584231
1-bromo-1-dimethoxyphosphorylhexan-2-ol
CID 22399764
curium;3-methylheptane
CID 59030306
3-methylheptane;oxotitanium
CID 174602327
1-di(propan-2-yl)phosphoryl-5-methylnonane
CID 155352160
trizinc;tris(3-methanidylheptane);phosphate
CID 158042505
lanthanum(3+);bis(3-methanidylheptane);phosphate
CID 175484799
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
1-dimethoxyphosphoryltridecan-3-ol
CID 10425403

Frequently Asked Questions

What is the IUPAC name of (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one?
The IUPAC name of (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one (CID 10753288) is (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one.
What is the SMILES notation for (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one?
The canonical SMILES for (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one is CCCC[C@H](C)C[14C](=O)CP(=O)(OC)OC.
What is the InChIKey of (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one?
The InChIKey is OGGRBKUQRPKXIC-PSLNOTSYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-5-6-7-10(2)8-11(12)9-16(13,14-3)15-4/h10H,5-9H2,1-4H3/t10-/m0/s1/i11+2.
What are the key properties of (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one?
(4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one has a molecular weight of 252.27 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one is sourced from PubChem (CID 10753288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).