bis(prop-2-enoxy)phosphorylcyclohexane

C12H21O3P — CID 54569921

IUPACbis(prop-2-enoxy)phosphorylcyclohexane
SMILESC=CCOP(=O)(OCC=C)C1CCCCC1
InChIInChI=1S/C12H21O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2
InChIKeyZWNGUDCMBFBKOV-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.92
Rot. Bonds7

About bis(prop-2-enoxy)phosphorylcyclohexane

bis(prop-2-enoxy)phosphorylcyclohexane (PubChem CID 54569921) has the molecular formula C12H21O3P and a molecular weight of 244.27 g/mol. Its IUPAC name is bis(prop-2-enoxy)phosphorylcyclohexane.

Molecular Properties

Compound Namebis(prop-2-enoxy)phosphorylcyclohexane
PubChem CID54569921
Molecular FormulaC12H21O3P
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Namebis(prop-2-enoxy)phosphorylcyclohexane
SMILESC=CCOP(=O)(OCC=C)C1CCCCC1
InChIInChI=1S/C12H21O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2
InChIKeyZWNGUDCMBFBKOV-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 bis(prop-2-enoxy)phosphorylcyclohexane?
The IUPAC name of bis(prop-2-enoxy)phosphorylcyclohexane (CID 54569921) is bis(prop-2-enoxy)phosphorylcyclohexane.
What is the SMILES notation for bis(prop-2-enoxy)phosphorylcyclohexane?
The canonical SMILES for bis(prop-2-enoxy)phosphorylcyclohexane is C=CCOP(=O)(OCC=C)C1CCCCC1.
What is the InChIKey of bis(prop-2-enoxy)phosphorylcyclohexane?
The InChIKey is ZWNGUDCMBFBKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2.
What are the key properties of bis(prop-2-enoxy)phosphorylcyclohexane?
bis(prop-2-enoxy)phosphorylcyclohexane has a molecular weight of 244.27 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enoxy)phosphorylcyclohexane is sourced from PubChem (CID 54569921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).