[(E)-2-cyclohexylethenyl]phosphonic acid

C8H15O3P — CID 138723053

IUPAC[(E)-2-cyclohexylethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C/C1CCCCC1
InChIInChI=1S/C8H15O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,9,10,11)/b7-6+
InChIKeyOFVIWFSUOAIXRB-VOTSOKGWSA-N
MW190.18 g/mol
LogP2.26
Rot. Bonds2

About [(E)-2-cyclohexylethenyl]phosphonic acid

[(E)-2-cyclohexylethenyl]phosphonic acid (PubChem CID 138723053) has the molecular formula C8H15O3P and a molecular weight of 190.18 g/mol. Its IUPAC name is [(E)-2-cyclohexylethenyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-2-cyclohexylethenyl]phosphonic acid
PubChem CID138723053
Molecular FormulaC8H15O3P
Molecular Weight190.18 g/mol
Exact Mass190.08
IUPAC Name[(E)-2-cyclohexylethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C/C1CCCCC1
InChIInChI=1S/C8H15O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,9,10,11)/b7-6+
InChIKeyOFVIWFSUOAIXRB-VOTSOKGWSA-N
XLogP2.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclohexylprop-2-enamide
CID 54292987
3-cyclohexylprop-2-enal
CID 54063598
[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
CID 59707595
cyclodecanecarbaldehyde
CID 13240747
di(cyclooctyl)phosphinic acid
CID 15243623
prop-1-enylcyclododecane
CID 139760926
(E)-2-cyclohexylethenethiol
CID 142947684
2-iodoethenylcyclohexane
CID 71361827
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
CID 102475153
CID 102475153

Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclohexylethenyl]phosphonic acid?
The IUPAC name of [(E)-2-cyclohexylethenyl]phosphonic acid (CID 138723053) is [(E)-2-cyclohexylethenyl]phosphonic acid.
What is the SMILES notation for [(E)-2-cyclohexylethenyl]phosphonic acid?
The canonical SMILES for [(E)-2-cyclohexylethenyl]phosphonic acid is O=P(O)(O)/C=C/C1CCCCC1.
What is the InChIKey of [(E)-2-cyclohexylethenyl]phosphonic acid?
The InChIKey is OFVIWFSUOAIXRB-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,9,10,11)/b7-6+.
What are the key properties of [(E)-2-cyclohexylethenyl]phosphonic acid?
[(E)-2-cyclohexylethenyl]phosphonic acid has a molecular weight of 190.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclohexylethenyl]phosphonic acid is sourced from PubChem (CID 138723053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).