2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone

C10H19O4P — CID 71308990

IUPAC2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)CP(=O)(OC)OC)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H19O4P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/i3D2,4D2,5D2,6D2,7D2,9D
InChIKeyFTZNMXSYERMMBC-QFAYMVOLSA-N
MW245.30 g/mol
LogP2.62
Rot. Bonds5

About 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone

2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone (PubChem CID 71308990) has the molecular formula C10H19O4P and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone
PubChem CID71308990
Molecular FormulaC10H19O4P
Molecular Weight245.30 g/mol
Exact Mass245.17
IUPAC Name2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)CP(=O)(OC)OC)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H19O4P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/i3D2,4D2,5D2,6D2,7D2,9D
InChIKeyFTZNMXSYERMMBC-QFAYMVOLSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.62
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

1-cyclohexyl-2-dimethoxyphosphorylethanone
CID 13187487
1-(3-butylcyclobutyl)-2-dimethoxyphosphorylethanone
CID 22768689
1-(4-tert-butylcyclohexyl)-2-dimethoxyphosphorylethanone
CID 57045345
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone
CID 131746645
1-dimethoxyphosphorylpentadecan-2-one
CID 11013076
2-dimethoxyphosphoryl-1-(1-propylcyclobutyl)ethanone
CID 13152058
tert-butyl 2-dimethoxyphosphorylacetate
CID 4564495
1-dimethoxyphosphoryl-3-ethylhexan-2-one
CID 21328894
2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone
CID 134474644
methyl 4-dimethoxyphosphoryl-3-methylbut-2-enoate
CID 54369846
[ethyl(methoxy)phosphoryl]oxycyclopentane
CID 87128122
1-dimethoxyphosphoryl-3,3-difluoroheptan-2-one
CID 11118722

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone?
The IUPAC name of 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone (CID 71308990) is 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone?
The canonical SMILES for 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone is [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)CP(=O)(OC)OC)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone?
The InChIKey is FTZNMXSYERMMBC-QFAYMVOLSA-N. The full InChI is InChI=1S/C10H19O4P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/i3D2,4D2,5D2,6D2,7D2,9D.
What are the key properties of 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone?
2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone has a molecular weight of 245.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone is sourced from PubChem (CID 71308990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).