(1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane

C15H25O3P — CID 134873347

IUPAC(1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane
SMILESCOP(=O)(C=C=C(C1CCCC1)C1CCCC1)OC
InChIInChI=1S/C15H25O3P/c1-17-19(16,18-2)12-11-15(13-7-3-4-8-13)14-9-5-6-10-14/h12-14H,3-10H2,1-2H3
InChIKeyGMBVOHJFKHCPQU-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.89
Rot. Bonds5

About (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane

(1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane (PubChem CID 134873347) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane.

Molecular Properties

Compound Name(1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane
PubChem CID134873347
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name(1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane
SMILESCOP(=O)(C=C=C(C1CCCC1)C1CCCC1)OC
InChIInChI=1S/C15H25O3P/c1-17-19(16,18-2)12-11-15(13-7-3-4-8-13)14-9-5-6-10-14/h12-14H,3-10H2,1-2H3
InChIKeyGMBVOHJFKHCPQU-UHFFFAOYSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene
CID 134895023

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane?
The IUPAC name of (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane (CID 134873347) is (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane.
What is the SMILES notation for (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane?
The canonical SMILES for (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane is COP(=O)(C=C=C(C1CCCC1)C1CCCC1)OC.
What is the InChIKey of (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane?
The InChIKey is GMBVOHJFKHCPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-17-19(16,18-2)12-11-15(13-7-3-4-8-13)14-9-5-6-10-14/h12-14H,3-10H2,1-2H3.
What are the key properties of (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane?
(1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane has a molecular weight of 284.34 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-3-dimethoxyphosphorylpropa-1,2-dienyl)cyclopentane is sourced from PubChem (CID 134873347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).