2-methylhexan-3-ylphosphane;dihydrochloride

C7H19Cl2P — CID 88799902

IUPAC2-methylhexan-3-ylphosphane;dihydrochloride
SMILESCCCC(P)C(C)C.Cl.Cl
InChIInChI=1S/C7H17P.2ClH/c1-4-5-7(8)6(2)3;;/h6-7H,4-5,8H2,1-3H3;2*1H
InChIKeyOKSDRVOXFRZRNK-UHFFFAOYSA-N
MW205.11 g/mol
LogP3.53
Rot. Bonds3

About 2-methylhexan-3-ylphosphane;dihydrochloride

2-methylhexan-3-ylphosphane;dihydrochloride (PubChem CID 88799902) has the molecular formula C7H19Cl2P and a molecular weight of 205.11 g/mol. Its IUPAC name is 2-methylhexan-3-ylphosphane;dihydrochloride.

Molecular Properties

Compound Name2-methylhexan-3-ylphosphane;dihydrochloride
PubChem CID88799902
Molecular FormulaC7H19Cl2P
Molecular Weight205.11 g/mol
Exact Mass204.06
IUPAC Name2-methylhexan-3-ylphosphane;dihydrochloride
SMILESCCCC(P)C(C)C.Cl.Cl
InChIInChI=1S/C7H17P.2ClH/c1-4-5-7(8)6(2)3;;/h6-7H,4-5,8H2,1-3H3;2*1H
InChIKeyOKSDRVOXFRZRNK-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 53.53
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

(2-methyl-3-propan-2-ylheptan-4-yl)phosphane
CID 170221608
3-methylheptan-4-ylphosphane
CID 178108210
pentan-2-ylphosphane
CID 22981481
(3R)-3-ethyl-2-methylhexane
CID 59954424
ethane;3-propylhexan-2-ylphosphane
CID 145493005
(3-methyl-1-phosphanylbutan-2-yl)phosphane
CID 170120297
2,3-dimethylpentane;hexan-3-ol
CID 143653257
heptane-2,4-diol
CID 161420509
3-methoxy-2-methylhexane
CID 23384964
hexane-1,3-diol;hydrochloride
CID 141150111
4-methylheptane
CID 91413347
butan-2-ylphosphane;hydrochloride
CID 174764071

Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-3-ylphosphane;dihydrochloride?
The IUPAC name of 2-methylhexan-3-ylphosphane;dihydrochloride (CID 88799902) is 2-methylhexan-3-ylphosphane;dihydrochloride.
What is the SMILES notation for 2-methylhexan-3-ylphosphane;dihydrochloride?
The canonical SMILES for 2-methylhexan-3-ylphosphane;dihydrochloride is CCCC(P)C(C)C.Cl.Cl.
What is the InChIKey of 2-methylhexan-3-ylphosphane;dihydrochloride?
The InChIKey is OKSDRVOXFRZRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17P.2ClH/c1-4-5-7(8)6(2)3;;/h6-7H,4-5,8H2,1-3H3;2*1H.
What are the key properties of 2-methylhexan-3-ylphosphane;dihydrochloride?
2-methylhexan-3-ylphosphane;dihydrochloride has a molecular weight of 205.11 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-3-ylphosphane;dihydrochloride is sourced from PubChem (CID 88799902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).