[chloro(diethoxyphosphoryl)methylidene]cyclopentane

C10H18ClO3P — CID 10824734

IUPAC[chloro(diethoxyphosphoryl)methylidene]cyclopentane
SMILESCCOP(=O)(OCC)C(Cl)=C1CCCC1
InChIInChI=1S/C10H18ClO3P/c1-3-13-15(12,14-4-2)10(11)9-7-5-6-8-9/h3-8H2,1-2H3
InChIKeyYNGRMBARHCXCAL-UHFFFAOYSA-N
MW252.68 g/mol
LogP4.28
Rot. Bonds5

About [chloro(diethoxyphosphoryl)methylidene]cyclopentane

[chloro(diethoxyphosphoryl)methylidene]cyclopentane (PubChem CID 10824734) has the molecular formula C10H18ClO3P and a molecular weight of 252.68 g/mol. Its IUPAC name is [chloro(diethoxyphosphoryl)methylidene]cyclopentane.

Molecular Properties

Compound Name[chloro(diethoxyphosphoryl)methylidene]cyclopentane
PubChem CID10824734
Molecular FormulaC10H18ClO3P
Molecular Weight252.68 g/mol
Exact Mass252.07
IUPAC Name[chloro(diethoxyphosphoryl)methylidene]cyclopentane
SMILESCCOP(=O)(OCC)C(Cl)=C1CCCC1
InChIInChI=1S/C10H18ClO3P/c1-3-13-15(12,14-4-2)10(11)9-7-5-6-8-9/h3-8H2,1-2H3
InChIKeyYNGRMBARHCXCAL-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 54.28
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

[Chloro(diethoxyphosphoryl)methylidene]cyclohexane
CID 10355595
1-Chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene
CID 134987925
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
(2-Bromo-2-diethoxyphosphorylethenylidene)cyclopentane
CID 134894302
(2-Chloro-2-diethoxyphosphorylethenylidene)cyclohexane
CID 134922007
1-Chloro-4-diethoxyphosphoryl-2-methylhepta-2,3-diene
CID 11403261
1-Chloro-4-diethoxyphosphoryl-2-methylocta-2,3-diene
CID 12007355
1-Chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene
CID 12007356
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 [chloro(diethoxyphosphoryl)methylidene]cyclopentane?
The IUPAC name of [chloro(diethoxyphosphoryl)methylidene]cyclopentane (CID 10824734) is [chloro(diethoxyphosphoryl)methylidene]cyclopentane.
What is the SMILES notation for [chloro(diethoxyphosphoryl)methylidene]cyclopentane?
The canonical SMILES for [chloro(diethoxyphosphoryl)methylidene]cyclopentane is CCOP(=O)(OCC)C(Cl)=C1CCCC1.
What is the InChIKey of [chloro(diethoxyphosphoryl)methylidene]cyclopentane?
The InChIKey is YNGRMBARHCXCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClO3P/c1-3-13-15(12,14-4-2)10(11)9-7-5-6-8-9/h3-8H2,1-2H3.
What are the key properties of [chloro(diethoxyphosphoryl)methylidene]cyclopentane?
[chloro(diethoxyphosphoryl)methylidene]cyclopentane has a molecular weight of 252.68 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diethoxyphosphoryl)methylidene]cyclopentane is sourced from PubChem (CID 10824734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).