[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane

C14H27O3P — CID 101157518

IUPAC[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane
SMILESCC(C)OP(=O)(/C=C/C1CCCCC1)OC(C)C
InChIInChI=1S/C14H27O3P/c1-12(2)16-18(15,17-13(3)4)11-10-14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3/b11-10+
InChIKeyKOIMXXYALPTSPY-ZHACJKMWSA-N
MW274.34 g/mol
LogP5.12
Rot. Bonds6

About [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane

[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane (PubChem CID 101157518) has the molecular formula C14H27O3P and a molecular weight of 274.34 g/mol. Its IUPAC name is [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane
PubChem CID101157518
Molecular FormulaC14H27O3P
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane
SMILESCC(C)OP(=O)(/C=C/C1CCCCC1)OC(C)C
InChIInChI=1S/C14H27O3P/c1-12(2)16-18(15,17-13(3)4)11-10-14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3/b11-10+
InChIKeyKOIMXXYALPTSPY-ZHACJKMWSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.34
LogP ≤ 55.12
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

diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
(1E)-1-(diethoxyphosphorylmethylidene)-2-methylcyclohexane
CID 134895021
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
CID 134895029
Cyclohex-3-enylmethylphosphinic acid ethyl ester
CID 21805328
2-Cyclohexylethenyl-ethoxy-oxophosphanium
CID 66796817
1-Cyclohexylethenyl-ethoxy-oxophosphanium
CID 66796818
Butoxy-(2-cyclohexylethenyl)-oxophosphanium
CID 66796909
2-Cyclohexylethenyl-methoxy-oxophosphanium
CID 66796968
2-Cyclohexylethenyl-cyclohexyloxy-oxophosphanium
CID 66797034
2-Diethoxyphosphorylethenylcyclohexane
CID 149918208
[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane
CID 10539261
(1-Diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane
CID 10540269

Frequently Asked Questions

What is the IUPAC name of [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane?
The IUPAC name of [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane (CID 101157518) is [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane?
The canonical SMILES for [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane is CC(C)OP(=O)(/C=C/C1CCCCC1)OC(C)C.
What is the InChIKey of [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane?
The InChIKey is KOIMXXYALPTSPY-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H27O3P/c1-12(2)16-18(15,17-13(3)4)11-10-14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3/b11-10+.
What are the key properties of [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane?
[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane has a molecular weight of 274.34 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane is sourced from PubChem (CID 101157518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).