dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium

C10H18O2P+ — CID 91079654

IUPACdimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium
SMILESCC(=O)C(OCC=C(C)C)=[P+](C)C
InChIInChI=1S/C10H18O2P/c1-8(2)6-7-12-10(9(3)11)13(4)5/h6H,7H2,1-5H3/q+1
InChIKeyDCLVRHXXTFRQRI-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.43
Rot. Bonds4

About dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium

dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium (PubChem CID 91079654) has the molecular formula C10H18O2P+ and a molecular weight of 201.23 g/mol. Its IUPAC name is dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium.

Molecular Properties

Compound Namedimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium
PubChem CID91079654
Molecular FormulaC10H18O2P+
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Namedimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium
SMILESCC(=O)C(OCC=C(C)C)=[P+](C)C
InChIInChI=1S/C10H18O2P/c1-8(2)6-7-12-10(9(3)11)13(4)5/h6H,7H2,1-5H3/q+1
InChIKeyDCLVRHXXTFRQRI-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium?
The IUPAC name of dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium (CID 91079654) is dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium.
What is the SMILES notation for dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium?
The canonical SMILES for dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium is CC(=O)C(OCC=C(C)C)=[P+](C)C.
What is the InChIKey of dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium?
The InChIKey is DCLVRHXXTFRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2P/c1-8(2)6-7-12-10(9(3)11)13(4)5/h6H,7H2,1-5H3/q+1.
What are the key properties of dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium?
dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium has a molecular weight of 201.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(3-methylbut-2-enoxy)-2-oxopropylidene]phosphanium is sourced from PubChem (CID 91079654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).