[chloro(methyl)phosphoryl]oxycyclopentane

C6H12ClO2P — CID 170850792

IUPAC[chloro(methyl)phosphoryl]oxycyclopentane
SMILESCP(=O)(Cl)OC1CCCC1
InChIInChI=1S/C6H12ClO2P/c1-10(7,8)9-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyVVTQSTFMFWWPQG-UHFFFAOYSA-N
MW182.59 g/mol
LogP3.01
Rot. Bonds2

About [chloro(methyl)phosphoryl]oxycyclopentane

[chloro(methyl)phosphoryl]oxycyclopentane (PubChem CID 170850792) has the molecular formula C6H12ClO2P and a molecular weight of 182.59 g/mol. Its IUPAC name is [chloro(methyl)phosphoryl]oxycyclopentane.

Molecular Properties

Compound Name[chloro(methyl)phosphoryl]oxycyclopentane
PubChem CID170850792
Molecular FormulaC6H12ClO2P
Molecular Weight182.59 g/mol
Exact Mass182.03
IUPAC Name[chloro(methyl)phosphoryl]oxycyclopentane
SMILESCP(=O)(Cl)OC1CCCC1
InChIInChI=1S/C6H12ClO2P/c1-10(7,8)9-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyVVTQSTFMFWWPQG-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.59
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
tricyclooctyl phosphate
CID 22995283
[fluoro(methyl)phosphoryl]oxycyclopentane;propane
CID 91381974
[ethyl(methyl)phosphoryl]oxycyclohexane
CID 66729701
[chloro-[dichloro-[chloro(cyclohexyloxy)phosphoryl]methyl]phosphoryl]oxycyclohexane
CID 87979264
tricyclobutyl phosphate
CID 66609052
cyclopentyloxy(ethenyl)phosphinic acid
CID 118440970
bis(dicyclohexyl phosphate);nickel(2+)
CID 22768614
[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane
CID 87127848
cyclopentyl fluoro methyl phosphate
CID 66729749
dicyclohexyl ethenyl phosphate
CID 152633991
[ethyl(methoxy)phosphoryl]oxycyclopentane
CID 87128122

Frequently Asked Questions

What is the IUPAC name of [chloro(methyl)phosphoryl]oxycyclopentane?
The IUPAC name of [chloro(methyl)phosphoryl]oxycyclopentane (CID 170850792) is [chloro(methyl)phosphoryl]oxycyclopentane.
What is the SMILES notation for [chloro(methyl)phosphoryl]oxycyclopentane?
The canonical SMILES for [chloro(methyl)phosphoryl]oxycyclopentane is CP(=O)(Cl)OC1CCCC1.
What is the InChIKey of [chloro(methyl)phosphoryl]oxycyclopentane?
The InChIKey is VVTQSTFMFWWPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClO2P/c1-10(7,8)9-6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of [chloro(methyl)phosphoryl]oxycyclopentane?
[chloro(methyl)phosphoryl]oxycyclopentane has a molecular weight of 182.59 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(methyl)phosphoryl]oxycyclopentane is sourced from PubChem (CID 170850792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).