[cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane

C15H27O3P — CID 123727253

IUPAC[cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane
SMILESCC=CP(=O)(OCC1CCCC1)OCC1CCCC1
InChIInChI=1S/C15H27O3P/c1-2-11-19(16,17-12-14-7-3-4-8-14)18-13-15-9-5-6-10-15/h2,11,14-15H,3-10,12-13H2,1H3
InChIKeyMMUDBYOBGDIVQV-UHFFFAOYSA-N
MW286.35 g/mol
LogP5.13
Rot. Bonds7

About [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane

[cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane (PubChem CID 123727253) has the molecular formula C15H27O3P and a molecular weight of 286.35 g/mol. Its IUPAC name is [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane.

Molecular Properties

Compound Name[cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane
PubChem CID123727253
Molecular FormulaC15H27O3P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name[cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane
SMILESCC=CP(=O)(OCC1CCCC1)OCC1CCCC1
InChIInChI=1S/C15H27O3P/c1-2-11-19(16,17-12-14-7-3-4-8-14)18-13-15-9-5-6-10-15/h2,11,14-15H,3-10,12-13H2,1H3
InChIKeyMMUDBYOBGDIVQV-UHFFFAOYSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.35
LogP ≤ 55.13
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

cyclohexylmethyl dihydrogen phosphate
CID 14982025
[fluoro(propyl)phosphoryl]oxymethylcyclohexane
CID 581368
butyl(cyclopentylmethoxy)phosphinic acid
CID 87155036
N-amino-(cyclopentylmethoxy)phosphonamidic acid
CID 174683153
2-diethoxyphosphorylethoxymethylcyclopentane
CID 174164242
N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine
CID 5364903
[ethoxy(ethyl)phosphoryl]oxymethylcyclopropane
CID 87083673
cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
CID 174908022
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
[[(E)-prop-1-enyl]-(propoxycarbonyloxymethoxy)phosphoryl]oxymethyl propyl carbonate
CID 90905920
N-(cyclopentylmethoxy)formamide
CID 23090322
2-methoxyethoxymethylcyclooctane
CID 3020404

Frequently Asked Questions

What is the IUPAC name of [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane?
The IUPAC name of [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane (CID 123727253) is [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane.
What is the SMILES notation for [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane?
The canonical SMILES for [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane is CC=CP(=O)(OCC1CCCC1)OCC1CCCC1.
What is the InChIKey of [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane?
The InChIKey is MMUDBYOBGDIVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O3P/c1-2-11-19(16,17-12-14-7-3-4-8-14)18-13-15-9-5-6-10-15/h2,11,14-15H,3-10,12-13H2,1H3.
What are the key properties of [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane?
[cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane has a molecular weight of 286.35 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentylmethoxy(prop-1-enyl)phosphoryl]oxymethylcyclopentane is sourced from PubChem (CID 123727253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).