(2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane

C11H18BrO3P — CID 134894302

IUPAC(2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane
SMILESCCOP(=O)(OCC)C(Br)=C=C1CCCC1
InChIInChI=1S/C11H18BrO3P/c1-3-14-16(13,15-4-2)11(12)9-10-7-5-6-8-10/h3-8H2,1-2H3
InChIKeyCAAFKMWYXCODNE-UHFFFAOYSA-N
MW309.14 g/mol
LogP4.59
Rot. Bonds5

About (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane

(2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane (PubChem CID 134894302) has the molecular formula C11H18BrO3P and a molecular weight of 309.14 g/mol. Its IUPAC name is (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane.

Molecular Properties

Compound Name(2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane
PubChem CID134894302
Molecular FormulaC11H18BrO3P
Molecular Weight309.14 g/mol
Exact Mass308.02
IUPAC Name(2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane
SMILESCCOP(=O)(OCC)C(Br)=C=C1CCCC1
InChIInChI=1S/C11H18BrO3P/c1-3-14-16(13,15-4-2)11(12)9-10-7-5-6-8-10/h3-8H2,1-2H3
InChIKeyCAAFKMWYXCODNE-UHFFFAOYSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 54.59
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

(2-Bromo-2-diethoxyphosphorylethenylidene)cyclohexane
CID 101038231
[Chloro(diethoxyphosphoryl)methylidene]cyclopentane
CID 10824734
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]heptane
CID 11438817
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
(E)-1-bromo-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10495361
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]-1-deuterioheptane
CID 11209630
2-Diethoxyphosphorylethenylidenecyclopentane
CID 23280733
2-Diethoxyphosphorylhex-1-enylidenecyclopentane
CID 25215111
1-Cyclopentylidenehex-1-en-2-yl(ethoxy)phosphinic acid
CID 25215581

Frequently Asked Questions

What is the IUPAC name of (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane?
The IUPAC name of (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane (CID 134894302) is (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane.
What is the SMILES notation for (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane?
The canonical SMILES for (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane is CCOP(=O)(OCC)C(Br)=C=C1CCCC1.
What is the InChIKey of (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane?
The InChIKey is CAAFKMWYXCODNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrO3P/c1-3-14-16(13,15-4-2)11(12)9-10-7-5-6-8-10/h3-8H2,1-2H3.
What are the key properties of (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane?
(2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane has a molecular weight of 309.14 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-2-diethoxyphosphorylethenylidene)cyclopentane is sourced from PubChem (CID 134894302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).