1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium

C14H24O2P+ — CID 66797035

IUPAC1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
SMILESC=C(C1CCCCC1)[P+](=O)OC1CCCCC1
InChIInChI=1S/C14H24O2P/c1-12(13-8-4-2-5-9-13)17(15)16-14-10-6-3-7-11-14/h13-14H,1-11H2/q+1
InChIKeyIOQKIUUOHZOUHD-UHFFFAOYSA-N
MW255.32 g/mol
LogP5.17
Rot. Bonds4

About 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium

1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium (PubChem CID 66797035) has the molecular formula C14H24O2P+ and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium.

Molecular Properties

Compound Name1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
PubChem CID66797035
Molecular FormulaC14H24O2P+
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
SMILESC=C(C1CCCCC1)[P+](=O)OC1CCCCC1
InChIInChI=1S/C14H24O2P/c1-12(13-8-4-2-5-9-13)17(15)16-14-10-6-3-7-11-14/h13-14H,1-11H2/q+1
InChIKeyIOQKIUUOHZOUHD-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.32
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(cyclooctyloxy)-oxophosphanium
CID 164745910
dicyclononyl carbonate
CID 139618210
cyclooctyl cyclooctanecarboxylate
CID 57160377
(cyclohexylamino)-cyclohexyloxy-oxophosphanium
CID 163740962
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
1-(1-cyclohexylethenylsulfinyl)ethenylcyclohexane
CID 54365797
cyclohexyloxyarsinic acid
CID 154070116
dicyclohexylmethanone;formaldehyde
CID 175300134
cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid
CID 174909348
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
3-cycloheptylbut-3-en-2-one
CID 89298761

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium?
The IUPAC name of 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium (CID 66797035) is 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium.
What is the SMILES notation for 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium?
The canonical SMILES for 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium is C=C(C1CCCCC1)[P+](=O)OC1CCCCC1.
What is the InChIKey of 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium?
The InChIKey is IOQKIUUOHZOUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2P/c1-12(13-8-4-2-5-9-13)17(15)16-14-10-6-3-7-11-14/h13-14H,1-11H2/q+1.
What are the key properties of 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium?
1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium has a molecular weight of 255.32 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium is sourced from PubChem (CID 66797035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).