1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one

C17H27O3P — CID 129208043

IUPAC1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one
SMILESCOP(CC(=O)C(C)CCCCCc1ccccc1)OC
InChIInChI=1S/C17H27O3P/c1-15(17(18)14-21(19-2)20-3)10-6-4-7-11-16-12-8-5-9-13-16/h5,8-9,12-13,15H,4,6-7,10-11,14H2,1-3H3
InChIKeyIGHKSULJWCATPD-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.60
Rot. Bonds11

About 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one

1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one (PubChem CID 129208043) has the molecular formula C17H27O3P and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one
PubChem CID129208043
Molecular FormulaC17H27O3P
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one
SMILESCOP(CC(=O)C(C)CCCCCc1ccccc1)OC
InChIInChI=1S/C17H27O3P/c1-15(17(18)14-21(19-2)20-3)10-6-4-7-11-16-12-8-5-9-13-16/h5,8-9,12-13,15H,4,6-7,10-11,14H2,1-3H3
InChIKeyIGHKSULJWCATPD-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

6-phenylhexan-2-yl hydrogen carbonate
CID 67179658
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
(3S)-1-dimethoxyphosphoryl-3-methyl-6-phenylhexan-2-one
CID 90054415
3-methyl-6-phenylhexan-2-one
CID 59396975
bis[(3R)-3-methyl-2-oxo-6-phenylhexoxy]-oxophosphanium
CID 175036610
2-(8-phenyloctyl)propanedioic acid
CID 20544236
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
(2S)-2-acetamido-7-phenylheptanoic acid
CID 129362724
2-methyl-9-phenylnonan-3-one
CID 58366233
methyl 2-amino-6-phenylhexanoate
CID 76830671
1-phenylpentadecan-7-yl hydrogen carbonate
CID 67178943
13-phenyltridecan-6-yl hydrogen carbonate
CID 67181193

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one?
The IUPAC name of 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one (CID 129208043) is 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one.
What is the SMILES notation for 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one?
The canonical SMILES for 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one is COP(CC(=O)C(C)CCCCCc1ccccc1)OC.
What is the InChIKey of 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one?
The InChIKey is IGHKSULJWCATPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O3P/c1-15(17(18)14-21(19-2)20-3)10-6-4-7-11-16-12-8-5-9-13-16/h5,8-9,12-13,15H,4,6-7,10-11,14H2,1-3H3.
What are the key properties of 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one?
1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one has a molecular weight of 310.37 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one is sourced from PubChem (CID 129208043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).