1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol

C12H23O4P — CID 10934268

IUPAC1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol
SMILESC=CC(C1(O)CCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C12H23O4P/c1-4-11(12(13)9-7-8-10-12)17(14,15-5-2)16-6-3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyPTMGMFOWRVFCLB-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.11
Rot. Bonds7

About 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol

1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol (PubChem CID 10934268) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol
PubChem CID10934268
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol
SMILESC=CC(C1(O)CCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C12H23O4P/c1-4-11(12(13)9-7-8-10-12)17(14,15-5-2)16-6-3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyPTMGMFOWRVFCLB-UHFFFAOYSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol?
The IUPAC name of 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol (CID 10934268) is 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol?
The canonical SMILES for 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol is C=CC(C1(O)CCCC1)P(=O)(OCC)OCC.
What is the InChIKey of 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol?
The InChIKey is PTMGMFOWRVFCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O4P/c1-4-11(12(13)9-7-8-10-12)17(14,15-5-2)16-6-3/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol?
1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol has a molecular weight of 262.29 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diethoxyphosphorylprop-2-enyl)cyclopentan-1-ol is sourced from PubChem (CID 10934268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).