benzyl(tert-butyl)phosphane;hydrochloride

C11H18ClP — CID 174737637

IUPACbenzyl(tert-butyl)phosphane;hydrochloride
SMILESCC(C)(C)PCc1ccccc1.Cl
InChIInChI=1S/C11H17P.ClH/c1-11(2,3)12-9-10-7-5-4-6-8-10;/h4-8,12H,9H2,1-3H3;1H
InChIKeyUVDKFOWVSGGFJD-UHFFFAOYSA-N
MW216.69 g/mol
LogP4.09
Rot. Bonds2

About benzyl(tert-butyl)phosphane;hydrochloride

benzyl(tert-butyl)phosphane;hydrochloride (PubChem CID 174737637) has the molecular formula C11H18ClP and a molecular weight of 216.69 g/mol. Its IUPAC name is benzyl(tert-butyl)phosphane;hydrochloride.

Molecular Properties

Compound Namebenzyl(tert-butyl)phosphane;hydrochloride
PubChem CID174737637
Molecular FormulaC11H18ClP
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Namebenzyl(tert-butyl)phosphane;hydrochloride
SMILESCC(C)(C)PCc1ccccc1.Cl
InChIInChI=1S/C11H17P.ClH/c1-11(2,3)12-9-10-7-5-4-6-8-10;/h4-8,12H,9H2,1-3H3;1H
InChIKeyUVDKFOWVSGGFJD-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(trifluoromethyl)phosphane
CID 21096687
N-benzylphosphanylmethanamine
CID 5035277
benzylphosphinite;butane
CID 20529876
benzyl(propyl)phosphane
CID 69425003
2,2-dimethylpropane;phenylmethanamine
CID 158787980
(4,4,4-trifluoro-2-iodo-2-methylbutyl)benzene
CID 139678016
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
(2-fluoro-2-methylpropyl)benzene
CID 14343442
benzyl(bromo)phosphane;bromophosphane
CID 139821861
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
benzyl(ditert-butyl)azanium
CID 58320117
CID 16688772
CID 16688772

Frequently Asked Questions

What is the IUPAC name of benzyl(tert-butyl)phosphane;hydrochloride?
The IUPAC name of benzyl(tert-butyl)phosphane;hydrochloride (CID 174737637) is benzyl(tert-butyl)phosphane;hydrochloride.
What is the SMILES notation for benzyl(tert-butyl)phosphane;hydrochloride?
The canonical SMILES for benzyl(tert-butyl)phosphane;hydrochloride is CC(C)(C)PCc1ccccc1.Cl.
What is the InChIKey of benzyl(tert-butyl)phosphane;hydrochloride?
The InChIKey is UVDKFOWVSGGFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17P.ClH/c1-11(2,3)12-9-10-7-5-4-6-8-10;/h4-8,12H,9H2,1-3H3;1H.
What are the key properties of benzyl(tert-butyl)phosphane;hydrochloride?
benzyl(tert-butyl)phosphane;hydrochloride has a molecular weight of 216.69 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(tert-butyl)phosphane;hydrochloride is sourced from PubChem (CID 174737637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).