2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole

C8H15O3P — CID 23417138

IUPAC2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole
SMILESC=C1C=C(C)OP1(C)(OC)OC
InChIInChI=1S/C8H15O3P/c1-7-6-8(2)12(5,9-3,10-4)11-7/h6H,2H2,1,3-5H3
InChIKeySJANATPUDIFCLV-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.65
Rot. Bonds2

About 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole

2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole (PubChem CID 23417138) has the molecular formula C8H15O3P and a molecular weight of 190.18 g/mol. Its IUPAC name is 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole.

Molecular Properties

Compound Name2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole
PubChem CID23417138
Molecular FormulaC8H15O3P
Molecular Weight190.18 g/mol
Exact Mass190.08
IUPAC Name2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole
SMILESC=C1C=C(C)OP1(C)(OC)OC
InChIInChI=1S/C8H15O3P/c1-7-6-8(2)12(5,9-3,10-4)11-7/h6H,2H2,1,3-5H3
InChIKeySJANATPUDIFCLV-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole?
The IUPAC name of 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole (CID 23417138) is 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole.
What is the SMILES notation for 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole?
The canonical SMILES for 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole is C=C1C=C(C)OP1(C)(OC)OC.
What is the InChIKey of 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole?
The InChIKey is SJANATPUDIFCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O3P/c1-7-6-8(2)12(5,9-3,10-4)11-7/h6H,2H2,1,3-5H3.
What are the key properties of 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole?
2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole has a molecular weight of 190.18 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-2,5-dimethyl-3-methylidene-1,2λ5-oxaphosphole is sourced from PubChem (CID 23417138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).