benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride

C33H62ClP — CID 173028038

IUPACbenzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride
SMILESC=CP(CCCCCCCC)(CCCCCCCC)(CCCCCCCC)Cc1ccccc1.Cl
InChIInChI=1S/C33H61P.ClH/c1-5-9-12-15-18-24-29-34(8-4,30-25-19-16-13-10-6-2,31-26-20-17-14-11-7-3)32-33-27-22-21-23-28-33;/h8,21-23,27-28H,4-7,9-20,24-26,29-32H2,1-3H3;1H
InChIKeyGTHHIOXBAQPHNM-UHFFFAOYSA-N
MW525.29 g/mol
LogP12.39
Rot. Bonds24

About benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride

benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride (PubChem CID 173028038) has the molecular formula C33H62ClP and a molecular weight of 525.29 g/mol. Its IUPAC name is benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride.

Molecular Properties

Compound Namebenzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride
PubChem CID173028038
Molecular FormulaC33H62ClP
Molecular Weight525.29 g/mol
Exact Mass524.43
IUPAC Namebenzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride
SMILESC=CP(CCCCCCCC)(CCCCCCCC)(CCCCCCCC)Cc1ccccc1.Cl
InChIInChI=1S/C33H61P.ClH/c1-5-9-12-15-18-24-29-34(8-4,30-25-19-16-13-10-6-2,31-26-20-17-14-11-7-3)32-33-27-22-21-23-28-33;/h8,21-23,27-28H,4-7,9-20,24-26,29-32H2,1-3H3;1H
InChIKeyGTHHIOXBAQPHNM-UHFFFAOYSA-N
XLogP12.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.29
LogP ≤ 512.39
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'}

Analyze benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibenzyl-bromo-didodecyl-λ5-phosphane
CID 140528034
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
benzyl-bromo-dodecyl-dimethyl-λ5-phosphane
CID 139702290
benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
benzyl-bromo-dimethyl-pentyl-λ5-phosphane
CID 140527604
ethenylsilane;heptylbenzene
CID 174982410
hexakis(decane);ethylbenzene
CID 173398562
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride?
The IUPAC name of benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride (CID 173028038) is benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride.
What is the SMILES notation for benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride?
The canonical SMILES for benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride is C=CP(CCCCCCCC)(CCCCCCCC)(CCCCCCCC)Cc1ccccc1.Cl.
What is the InChIKey of benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride?
The InChIKey is GTHHIOXBAQPHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H61P.ClH/c1-5-9-12-15-18-24-29-34(8-4,30-25-19-16-13-10-6-2,31-26-20-17-14-11-7-3)32-33-27-22-21-23-28-33;/h8,21-23,27-28H,4-7,9-20,24-26,29-32H2,1-3H3;1H.
What are the key properties of benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride?
benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride has a molecular weight of 525.29 g/mol, XLogP of 12.39, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride is sourced from PubChem (CID 173028038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).