3-methylbutylphosphane;dihydrochloride

C5H15Cl2P — CID 172804723

IUPAC3-methylbutylphosphane;dihydrochloride
SMILESCC(C)CCP.Cl.Cl
InChIInChI=1S/C5H13P.2ClH/c1-5(2)3-4-6;;/h5H,3-4,6H2,1-2H3;2*1H
InChIKeyRITLUHBLMMIIGI-UHFFFAOYSA-N
MW177.05 g/mol
LogP2.75
Rot. Bonds2

About 3-methylbutylphosphane;dihydrochloride

3-methylbutylphosphane;dihydrochloride (PubChem CID 172804723) has the molecular formula C5H15Cl2P and a molecular weight of 177.05 g/mol. Its IUPAC name is 3-methylbutylphosphane;dihydrochloride.

Molecular Properties

Compound Name3-methylbutylphosphane;dihydrochloride
PubChem CID172804723
Molecular FormulaC5H15Cl2P
Molecular Weight177.05 g/mol
Exact Mass176.03
IUPAC Name3-methylbutylphosphane;dihydrochloride
SMILESCC(C)CCP.Cl.Cl
InChIInChI=1S/C5H13P.2ClH/c1-5(2)3-4-6;;/h5H,3-4,6H2,1-2H3;2*1H
InChIKeyRITLUHBLMMIIGI-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.05
LogP ≤ 52.75
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

4-methylpentylphosphane
CID 23117374
1-chloro-3-methylbutane;hydrochloride
CID 172682521
CID 162331497
CID 162331497
(3-butan-2-yl-4-methylhexyl)phosphane
CID 167150545
4-methylpentane-1,1-diamine;dihydrochloride
CID 87818690
2-methylhexane;hydrochloride
CID 172797630
2-methylpentane
CID 7892
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
3,3-bis(methylsulfanyl)propylphosphane
CID 123998649

Frequently Asked Questions

What is the IUPAC name of 3-methylbutylphosphane;dihydrochloride?
The IUPAC name of 3-methylbutylphosphane;dihydrochloride (CID 172804723) is 3-methylbutylphosphane;dihydrochloride.
What is the SMILES notation for 3-methylbutylphosphane;dihydrochloride?
The canonical SMILES for 3-methylbutylphosphane;dihydrochloride is CC(C)CCP.Cl.Cl.
What is the InChIKey of 3-methylbutylphosphane;dihydrochloride?
The InChIKey is RITLUHBLMMIIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13P.2ClH/c1-5(2)3-4-6;;/h5H,3-4,6H2,1-2H3;2*1H.
What are the key properties of 3-methylbutylphosphane;dihydrochloride?
3-methylbutylphosphane;dihydrochloride has a molecular weight of 177.05 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutylphosphane;dihydrochloride is sourced from PubChem (CID 172804723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).