(1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane

C11H21O3P — CID 100937447

IUPAC(1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane
SMILESCOP(=O)(OC)C(=C1CCCC1)C(C)C
InChIInChI=1S/C11H21O3P/c1-9(2)11(10-7-5-6-8-10)15(12,13-3)14-4/h9H,5-8H2,1-4H3
InChIKeyFCXRPPJIQCJQTD-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.96
Rot. Bonds4

About (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane

(1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane (PubChem CID 100937447) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane.

Molecular Properties

Compound Name(1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane
PubChem CID100937447
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name(1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane
SMILESCOP(=O)(OC)C(=C1CCCC1)C(C)C
InChIInChI=1S/C11H21O3P/c1-9(2)11(10-7-5-6-8-10)15(12,13-3)14-4/h9H,5-8H2,1-4H3
InChIKeyFCXRPPJIQCJQTD-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.96
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 (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane?
The IUPAC name of (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane (CID 100937447) is (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane.
What is the SMILES notation for (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane?
The canonical SMILES for (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane is COP(=O)(OC)C(=C1CCCC1)C(C)C.
What is the InChIKey of (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane?
The InChIKey is FCXRPPJIQCJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-9(2)11(10-7-5-6-8-10)15(12,13-3)14-4/h9H,5-8H2,1-4H3.
What are the key properties of (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane?
(1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane has a molecular weight of 232.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dimethoxyphosphoryl-2-methylpropylidene)cyclopentane is sourced from PubChem (CID 100937447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).