2-methylhexane;hydrochloride

C7H17Cl — CID 172797630

IUPAC2-methylhexane;hydrochloride
SMILESCCCCC(C)C.Cl
InChIInChI=1S/C7H16.ClH/c1-4-5-6-7(2)3;/h7H,4-6H2,1-3H3;1H
InChIKeyQKSIXGRSPOWONW-UHFFFAOYSA-N
MW136.67 g/mol
LogP3.25
Rot. Bonds3

About 2-methylhexane;hydrochloride

2-methylhexane;hydrochloride (PubChem CID 172797630) has the molecular formula C7H17Cl and a molecular weight of 136.67 g/mol. Its IUPAC name is 2-methylhexane;hydrochloride.

Molecular Properties

Compound Name2-methylhexane;hydrochloride
PubChem CID172797630
Molecular FormulaC7H17Cl
Molecular Weight136.67 g/mol
Exact Mass136.10
IUPAC Name2-methylhexane;hydrochloride
SMILESCCCCC(C)C.Cl
InChIInChI=1S/C7H16.ClH/c1-4-5-6-7(2)3;/h7H,4-6H2,1-3H3;1H
InChIKeyQKSIXGRSPOWONW-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.67
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 91544051
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CID 144516512
ethane;hexane;2-methylhexane
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methane;2-methylbutane;2-methylhexane
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λ2-plumbane;2-methylheptane
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mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
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bis(2-methylheptane);propane
CID 158714851
2-methyltetratriacontane
CID 14275207
cobalt;2-methylheptane
CID 175521472

Frequently Asked Questions

What is the IUPAC name of 2-methylhexane;hydrochloride?
The IUPAC name of 2-methylhexane;hydrochloride (CID 172797630) is 2-methylhexane;hydrochloride.
What is the SMILES notation for 2-methylhexane;hydrochloride?
The canonical SMILES for 2-methylhexane;hydrochloride is CCCCC(C)C.Cl.
What is the InChIKey of 2-methylhexane;hydrochloride?
The InChIKey is QKSIXGRSPOWONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.ClH/c1-4-5-6-7(2)3;/h7H,4-6H2,1-3H3;1H.
What are the key properties of 2-methylhexane;hydrochloride?
2-methylhexane;hydrochloride has a molecular weight of 136.67 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane;hydrochloride is sourced from PubChem (CID 172797630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).