hexane;tetrahydrochloride

C6H18Cl4 — CID 18520801

IUPAChexane;tetrahydrochloride
SMILESCCCCCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C6H14.4ClH/c1-3-5-6-4-2;;;;/h3-6H2,1-2H3;4*1H
InChIKeyOGBDBLQBNVXCJX-UHFFFAOYSA-N
MW232.02 g/mol
LogP4.27
Rot. Bonds3

About hexane;tetrahydrochloride

hexane;tetrahydrochloride (PubChem CID 18520801) has the molecular formula C6H18Cl4 and a molecular weight of 232.02 g/mol. Its IUPAC name is hexane;tetrahydrochloride.

Molecular Properties

Compound Namehexane;tetrahydrochloride
PubChem CID18520801
Molecular FormulaC6H18Cl4
Molecular Weight232.02 g/mol
Exact Mass230.02
IUPAC Namehexane;tetrahydrochloride
SMILESCCCCCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C6H14.4ClH/c1-3-5-6-4-2;;;;/h3-6H2,1-2H3;4*1H
InChIKeyOGBDBLQBNVXCJX-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
hexane;phosphane;dihydrochloride
CID 173449744
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
methane;octane;dihydrochloride
CID 174397937
heptane;phosphane;trihydrochloride
CID 175501735
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119
dodecane;phosphane;dihydrochloride
CID 173449681
hexane;hydron
CID 174049109

Frequently Asked Questions

What is the IUPAC name of hexane;tetrahydrochloride?
The IUPAC name of hexane;tetrahydrochloride (CID 18520801) is hexane;tetrahydrochloride.
What is the SMILES notation for hexane;tetrahydrochloride?
The canonical SMILES for hexane;tetrahydrochloride is CCCCCC.Cl.Cl.Cl.Cl.
What is the InChIKey of hexane;tetrahydrochloride?
The InChIKey is OGBDBLQBNVXCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.4ClH/c1-3-5-6-4-2;;;;/h3-6H2,1-2H3;4*1H.
What are the key properties of hexane;tetrahydrochloride?
hexane;tetrahydrochloride has a molecular weight of 232.02 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;tetrahydrochloride is sourced from PubChem (CID 18520801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).