2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone

C14H22O3P2 — CID 129208315

IUPAC2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone
SMILESCOP(CC(=O)P(C)CCCc1ccccc1)OC
InChIInChI=1S/C14H22O3P2/c1-16-19(17-2)12-14(15)18(3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyDVOQOUZBGMRABF-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.86
Rot. Bonds9

About 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone

2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone (PubChem CID 129208315) has the molecular formula C14H22O3P2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone.

Molecular Properties

Compound Name2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone
PubChem CID129208315
Molecular FormulaC14H22O3P2
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone
SMILESCOP(CC(=O)P(C)CCCc1ccccc1)OC
InChIInChI=1S/C14H22O3P2/c1-16-19(17-2)12-14(15)18(3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyDVOQOUZBGMRABF-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl(3-phenylpropyl)phosphane
CID 15904260
1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one
CID 129208043
dimethyl(3-phenylpropyl)phosphane;hydrobromide
CID 173157759
butylbenzene;carbonic acid
CID 158278492
dimethyl(4-phenylbutyl)phosphane
CID 67540805
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
5-phenylpentan-2-one
CID 16701
3-phenylpropyl-di(propan-2-yl)phosphane
CID 101080226
carbonic acid;pentylbenzene
CID 157127683
S-(3-phenylpropyl) ethanethioate
CID 11008825
methyl 3-oxo-6-phenylhexanoate
CID 12701554
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone?
The IUPAC name of 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone (CID 129208315) is 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone.
What is the SMILES notation for 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone?
The canonical SMILES for 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone is COP(CC(=O)P(C)CCCc1ccccc1)OC.
What is the InChIKey of 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone?
The InChIKey is DVOQOUZBGMRABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3P2/c1-16-19(17-2)12-14(15)18(3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3.
What are the key properties of 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone?
2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone has a molecular weight of 300.28 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphanyl-1-[methyl(3-phenylpropyl)phosphanyl]ethanone is sourced from PubChem (CID 129208315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).