dimethyl(4-phenylbutyl)phosphane

C12H19P — CID 67540805

IUPACdimethyl(4-phenylbutyl)phosphane
SMILESCP(C)CCCCc1ccccc1
InChIInChI=1S/C12H19P/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyCXHWFPGABAPNDE-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.75
Rot. Bonds5

About dimethyl(4-phenylbutyl)phosphane

dimethyl(4-phenylbutyl)phosphane (PubChem CID 67540805) has the molecular formula C12H19P and a molecular weight of 194.26 g/mol. Its IUPAC name is dimethyl(4-phenylbutyl)phosphane.

Molecular Properties

Compound Namedimethyl(4-phenylbutyl)phosphane
PubChem CID67540805
Molecular FormulaC12H19P
Molecular Weight194.26 g/mol
Exact Mass194.12
IUPAC Namedimethyl(4-phenylbutyl)phosphane
SMILESCP(C)CCCCc1ccccc1
InChIInChI=1S/C12H19P/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyCXHWFPGABAPNDE-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.75
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

dimethyl(7-phenylheptyl)phosphane;hydrochloride
CID 173157497
dimethyl(3-phenylpropyl)phosphane
CID 15904260
dimethyl(3-phenylpropyl)phosphane;hydrobromide
CID 173157759
4-phenylbutylbenzene
CID 141301927
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
dodecylbenzene;sulfane
CID 20560423
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881

Frequently Asked Questions

What is the IUPAC name of dimethyl(4-phenylbutyl)phosphane?
The IUPAC name of dimethyl(4-phenylbutyl)phosphane (CID 67540805) is dimethyl(4-phenylbutyl)phosphane.
What is the SMILES notation for dimethyl(4-phenylbutyl)phosphane?
The canonical SMILES for dimethyl(4-phenylbutyl)phosphane is CP(C)CCCCc1ccccc1.
What is the InChIKey of dimethyl(4-phenylbutyl)phosphane?
The InChIKey is CXHWFPGABAPNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19P/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3.
What are the key properties of dimethyl(4-phenylbutyl)phosphane?
dimethyl(4-phenylbutyl)phosphane has a molecular weight of 194.26 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(4-phenylbutyl)phosphane is sourced from PubChem (CID 67540805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).