cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol

C12H23O4P — CID 10611489

IUPACcis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@@]1(O)CCC[C@@H]1P(=O)(OCC)OCC
InChIInChI=1S/C12H23O4P/c1-4-9-12(13)10-7-8-11(12)17(14,15-5-2)16-6-3/h4,11,13H,1,5-10H2,2-3H3/t11-,12+/m0/s1
InChIKeyYKSSDPMVAUQFLH-NWDGAFQWSA-N
MW262.29 g/mol
LogP3.11
Rot. Bonds7

About cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol

cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol (PubChem CID 10611489) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol
PubChem CID10611489
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Namecis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@@]1(O)CCC[C@@H]1P(=O)(OCC)OCC
InChIInChI=1S/C12H23O4P/c1-4-9-12(13)10-7-8-11(12)17(14,15-5-2)16-6-3/h4,11,13H,1,5-10H2,2-3H3/t11-,12+/m0/s1
InChIKeyYKSSDPMVAUQFLH-NWDGAFQWSA-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 cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol (CID 10611489) is cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol is C=CC[C@@]1(O)CCC[C@@H]1P(=O)(OCC)OCC.
What is the InChIKey of cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol?
The InChIKey is YKSSDPMVAUQFLH-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H23O4P/c1-4-9-12(13)10-7-8-11(12)17(14,15-5-2)16-6-3/h4,11,13H,1,5-10H2,2-3H3/t11-,12+/m0/s1.
What are the key properties of cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol?
cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-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 cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 10611489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).