acetic acid;dicyclohexyl(phenyl)phosphane

C22H35O4P — CID 172794555

IUPACacetic acid;dicyclohexyl(phenyl)phosphane
SMILESCC(=O)O.CC(=O)O.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C18H27P.2C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2;2*1H3,(H,3,4)
InChIKeyQAFSPWKCZZAVNE-UHFFFAOYSA-N
MW394.49 g/mol
LogP5.64
Rot. Bonds3

About acetic acid;dicyclohexyl(phenyl)phosphane

acetic acid;dicyclohexyl(phenyl)phosphane (PubChem CID 172794555) has the molecular formula C22H35O4P and a molecular weight of 394.49 g/mol. Its IUPAC name is acetic acid;dicyclohexyl(phenyl)phosphane.

Molecular Properties

Compound Nameacetic acid;dicyclohexyl(phenyl)phosphane
PubChem CID172794555
Molecular FormulaC22H35O4P
Molecular Weight394.49 g/mol
Exact Mass394.23
IUPAC Nameacetic acid;dicyclohexyl(phenyl)phosphane
SMILESCC(=O)O.CC(=O)O.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C18H27P.2C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2;2*1H3,(H,3,4)
InChIKeyQAFSPWKCZZAVNE-UHFFFAOYSA-N
XLogP5.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
CID 57357504
4-dicyclohexylphosphanylbenzoic acid
CID 178057087
acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium
CID 87149866
dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene
CID 161477037
acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane
CID 23229150
cyclononyl(diphenyl)phosphane
CID 70908257
dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane
CID 58152982
CID 89375830
CID 89375830
(2-dicyclohexylphosphanylphenyl)-phenylmethanone
CID 53411822
tert-butyl (2S,4S)-4-[cyclohexyl(phenyl)phosphanyl]-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 100927918
dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 118856545

Frequently Asked Questions

What is the IUPAC name of acetic acid;dicyclohexyl(phenyl)phosphane?
The IUPAC name of acetic acid;dicyclohexyl(phenyl)phosphane (CID 172794555) is acetic acid;dicyclohexyl(phenyl)phosphane.
What is the SMILES notation for acetic acid;dicyclohexyl(phenyl)phosphane?
The canonical SMILES for acetic acid;dicyclohexyl(phenyl)phosphane is CC(=O)O.CC(=O)O.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of acetic acid;dicyclohexyl(phenyl)phosphane?
The InChIKey is QAFSPWKCZZAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27P.2C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;dicyclohexyl(phenyl)phosphane?
acetic acid;dicyclohexyl(phenyl)phosphane has a molecular weight of 394.49 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;dicyclohexyl(phenyl)phosphane is sourced from PubChem (CID 172794555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).