dodecyl(1-phenylethyl)phosphane

C20H35P — CID 175060355

IUPACdodecyl(1-phenylethyl)phosphane
SMILESCCCCCCCCCCCCPC(C)c1ccccc1
InChIInChI=1S/C20H35P/c1-3-4-5-6-7-8-9-10-11-15-18-21-19(2)20-16-13-12-14-17-20/h12-14,16-17,19,21H,3-11,15,18H2,1-2H3
InChIKeyYDXAMBPMKOQEKB-UHFFFAOYSA-N
MW306.47 g/mol
LogP7.35
Rot. Bonds13

About dodecyl(1-phenylethyl)phosphane

dodecyl(1-phenylethyl)phosphane (PubChem CID 175060355) has the molecular formula C20H35P and a molecular weight of 306.47 g/mol. Its IUPAC name is dodecyl(1-phenylethyl)phosphane.

Molecular Properties

Compound Namedodecyl(1-phenylethyl)phosphane
PubChem CID175060355
Molecular FormulaC20H35P
Molecular Weight306.47 g/mol
Exact Mass306.25
IUPAC Namedodecyl(1-phenylethyl)phosphane
SMILESCCCCCCCCCCCCPC(C)c1ccccc1
InChIInChI=1S/C20H35P/c1-3-4-5-6-7-8-9-10-11-15-18-21-19(2)20-16-13-12-14-17-20/h12-14,16-17,19,21H,3-11,15,18H2,1-2H3
InChIKeyYDXAMBPMKOQEKB-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(phenyl)phosphane
CID 23361411
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
nonyl(phenyl)phosphane
CID 69424973
1-bromododecane;cumene
CID 174305646
N-benzhydryldecan-1-amine
CID 57251579
1-decan-2-yloxyethylbenzene
CID 102455455
(1R)-1-phenyloctan-1-ol
CID 12794259
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
ethoxy(1-phenylethyl)phosphane
CID 70367616
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-benzhydrylhexan-1-amine;hydrate
CID 173442267

Frequently Asked Questions

What is the IUPAC name of dodecyl(1-phenylethyl)phosphane?
The IUPAC name of dodecyl(1-phenylethyl)phosphane (CID 175060355) is dodecyl(1-phenylethyl)phosphane.
What is the SMILES notation for dodecyl(1-phenylethyl)phosphane?
The canonical SMILES for dodecyl(1-phenylethyl)phosphane is CCCCCCCCCCCCPC(C)c1ccccc1.
What is the InChIKey of dodecyl(1-phenylethyl)phosphane?
The InChIKey is YDXAMBPMKOQEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35P/c1-3-4-5-6-7-8-9-10-11-15-18-21-19(2)20-16-13-12-14-17-20/h12-14,16-17,19,21H,3-11,15,18H2,1-2H3.
What are the key properties of dodecyl(1-phenylethyl)phosphane?
dodecyl(1-phenylethyl)phosphane has a molecular weight of 306.47 g/mol, XLogP of 7.35, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(1-phenylethyl)phosphane is sourced from PubChem (CID 175060355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).