benzyl-methyl-propylphosphane

C11H17P — CID 13024967

IUPACbenzyl-methyl-propylphosphane
SMILESCCCP(C)Cc1ccccc1
InChIInChI=1S/C11H17P/c1-3-9-12(2)10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyVATFMXNMYQIFQO-UHFFFAOYSA-N
MW180.23 g/mol
LogP3.71
Rot. Bonds4

About benzyl-methyl-propylphosphane

benzyl-methyl-propylphosphane (PubChem CID 13024967) has the molecular formula C11H17P and a molecular weight of 180.23 g/mol. Its IUPAC name is benzyl-methyl-propylphosphane.

Molecular Properties

Compound Namebenzyl-methyl-propylphosphane
PubChem CID13024967
Molecular FormulaC11H17P
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Namebenzyl-methyl-propylphosphane
SMILESCCCP(C)Cc1ccccc1
InChIInChI=1S/C11H17P/c1-3-9-12(2)10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyVATFMXNMYQIFQO-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 53.71
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-bromo-propylphosphane
CID 139995622
benzyl-butyl-ethylphosphane
CID 54234955
palladium;bis(tribenzylphosphane)
CID 87652258
benzyl(diethoxy)phosphane
CID 13274714
(2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine
CID 174273124
ethylcyclodecapentaene
CID 90861705
dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
dichloroiron;diphenyl(propyl)phosphane
CID 175149268
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
ethylbenzene;oxalonitrile;sulfane
CID 174327250
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-propylphosphane?
The IUPAC name of benzyl-methyl-propylphosphane (CID 13024967) is benzyl-methyl-propylphosphane.
What is the SMILES notation for benzyl-methyl-propylphosphane?
The canonical SMILES for benzyl-methyl-propylphosphane is CCCP(C)Cc1ccccc1.
What is the InChIKey of benzyl-methyl-propylphosphane?
The InChIKey is VATFMXNMYQIFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17P/c1-3-9-12(2)10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of benzyl-methyl-propylphosphane?
benzyl-methyl-propylphosphane has a molecular weight of 180.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-propylphosphane is sourced from PubChem (CID 13024967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).