dimethyl(7-phenylheptyl)phosphane;hydrochloride

C15H26ClP — CID 173157497

IUPACdimethyl(7-phenylheptyl)phosphane;hydrochloride
SMILESCP(C)CCCCCCCc1ccccc1.Cl
InChIInChI=1S/C15H25P.ClH/c1-16(2)14-10-5-3-4-7-11-15-12-8-6-9-13-15;/h6,8-9,12-13H,3-5,7,10-11,14H2,1-2H3;1H
InChIKeyABTLVGTXYHPCNH-UHFFFAOYSA-N
MW272.80 g/mol
LogP5.34
Rot. Bonds8

About dimethyl(7-phenylheptyl)phosphane;hydrochloride

dimethyl(7-phenylheptyl)phosphane;hydrochloride (PubChem CID 173157497) has the molecular formula C15H26ClP and a molecular weight of 272.80 g/mol. Its IUPAC name is dimethyl(7-phenylheptyl)phosphane;hydrochloride.

Molecular Properties

Compound Namedimethyl(7-phenylheptyl)phosphane;hydrochloride
PubChem CID173157497
Molecular FormulaC15H26ClP
Molecular Weight272.80 g/mol
Exact Mass272.15
IUPAC Namedimethyl(7-phenylheptyl)phosphane;hydrochloride
SMILESCP(C)CCCCCCCc1ccccc1.Cl
InChIInChI=1S/C15H25P.ClH/c1-16(2)14-10-5-3-4-7-11-15-12-8-6-9-13-15;/h6,8-9,12-13H,3-5,7,10-11,14H2,1-2H3;1H
InChIKeyABTLVGTXYHPCNH-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.80
LogP ≤ 55.34
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 dimethyl(7-phenylheptyl)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

dimethyl(4-phenylbutyl)phosphane
CID 67540805
dimethyl(3-phenylpropyl)phosphane
CID 15904260
dimethyl(3-phenylpropyl)phosphane;hydrobromide
CID 173157759
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
4-phenylbutylbenzene
CID 141301927
dodecylbenzene;sulfane
CID 20560423
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881

Frequently Asked Questions

What is the IUPAC name of dimethyl(7-phenylheptyl)phosphane;hydrochloride?
The IUPAC name of dimethyl(7-phenylheptyl)phosphane;hydrochloride (CID 173157497) is dimethyl(7-phenylheptyl)phosphane;hydrochloride.
What is the SMILES notation for dimethyl(7-phenylheptyl)phosphane;hydrochloride?
The canonical SMILES for dimethyl(7-phenylheptyl)phosphane;hydrochloride is CP(C)CCCCCCCc1ccccc1.Cl.
What is the InChIKey of dimethyl(7-phenylheptyl)phosphane;hydrochloride?
The InChIKey is ABTLVGTXYHPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25P.ClH/c1-16(2)14-10-5-3-4-7-11-15-12-8-6-9-13-15;/h6,8-9,12-13H,3-5,7,10-11,14H2,1-2H3;1H.
What are the key properties of dimethyl(7-phenylheptyl)phosphane;hydrochloride?
dimethyl(7-phenylheptyl)phosphane;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(7-phenylheptyl)phosphane;hydrochloride is sourced from PubChem (CID 173157497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).