2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone

C11H21O4P — CID 13152058

IUPAC2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone
SMILESCCCC1(C(=O)CP(=O)(OC)OC)CCC1
InChIInChI=1S/C11H21O4P/c1-4-6-11(7-5-8-11)10(12)9-16(13,14-2)15-3/h4-9H2,1-3H3
InChIKeyWWHHLGKYKAWLFL-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.01
Rot. Bonds7

About 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone

2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone (PubChem CID 13152058) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone
PubChem CID13152058
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone
SMILESCCCC1(C(=O)CP(=O)(OC)OC)CCC1
InChIInChI=1S/C11H21O4P/c1-4-6-11(7-5-8-11)10(12)9-16(13,14-2)15-3/h4-9H2,1-3H3
InChIKeyWWHHLGKYKAWLFL-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.01
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

methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
1-propylcyclooctane-1-carboxylic acid
CID 80611944
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
1-(1-ethylcyclopentyl)-2-methoxyethanone
CID 115783356
1-[1-(aminomethyl)cyclobutyl]butan-1-one
CID 116600255
2-[methyl-(1-propylcyclobutanecarbonyl)amino]propanoic acid
CID 119358847
2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid
CID 119346158
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
oxan-4-yl 1-(2-methoxyethyl)cyclobutane-1-carboxylate
CID 75514514
1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid
CID 54082256
1-dimethoxyphosphoryl-3,3-difluoroheptan-2-one
CID 11118722

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone?
The IUPAC name of 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone (CID 13152058) is 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone?
The canonical SMILES for 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone is CCCC1(C(=O)CP(=O)(OC)OC)CCC1.
What is the InChIKey of 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone?
The InChIKey is WWHHLGKYKAWLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-4-6-11(7-5-8-11)10(12)9-16(13,14-2)15-3/h4-9H2,1-3H3.
What are the key properties of 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone?
2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone has a molecular weight of 248.26 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone is sourced from PubChem (CID 13152058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).