2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone

C13H21O6P — CID 134474644

IUPAC2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone
SMILESC=C1CC(C(=O)CP(=O)(OC)OC)OC2(CCCC2)O1
InChIInChI=1S/C13H21O6P/c1-10-8-12(11(14)9-20(15,16-2)17-3)19-13(18-10)6-4-5-7-13/h12H,1,4-9H2,2-3H3
InChIKeyKMBBDGVJHBBUIF-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.63
Rot. Bonds5

About 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone

2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone (PubChem CID 134474644) has the molecular formula C13H21O6P and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone
PubChem CID134474644
Molecular FormulaC13H21O6P
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone
SMILESC=C1CC(C(=O)CP(=O)(OC)OC)OC2(CCCC2)O1
InChIInChI=1S/C13H21O6P/c1-10-8-12(11(14)9-20(15,16-2)17-3)19-13(18-10)6-4-5-7-13/h12H,1,4-9H2,2-3H3
InChIKeyKMBBDGVJHBBUIF-UHFFFAOYSA-N
XLogP2.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone?
The IUPAC name of 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone (CID 134474644) is 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone?
The canonical SMILES for 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone is C=C1CC(C(=O)CP(=O)(OC)OC)OC2(CCCC2)O1.
What is the InChIKey of 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone?
The InChIKey is KMBBDGVJHBBUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O6P/c1-10-8-12(11(14)9-20(15,16-2)17-3)19-13(18-10)6-4-5-7-13/h12H,1,4-9H2,2-3H3.
What are the key properties of 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone?
2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone has a molecular weight of 304.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone is sourced from PubChem (CID 134474644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).