methane;octane;dihydrochloride

C9H24Cl2 — CID 174397937

IUPACmethane;octane;dihydrochloride
SMILESC.CCCCCCCC.Cl.Cl
InChIInChI=1S/C8H18.CH4.2ClH/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;1H4;2*1H
InChIKeyZSLFTENLZINGDU-UHFFFAOYSA-N
MW203.20 g/mol
LogP4.85
Rot. Bonds5

About methane;octane;dihydrochloride

methane;octane;dihydrochloride (PubChem CID 174397937) has the molecular formula C9H24Cl2 and a molecular weight of 203.20 g/mol. Its IUPAC name is methane;octane;dihydrochloride.

Molecular Properties

Compound Namemethane;octane;dihydrochloride
PubChem CID174397937
Molecular FormulaC9H24Cl2
Molecular Weight203.20 g/mol
Exact Mass202.13
IUPAC Namemethane;octane;dihydrochloride
SMILESC.CCCCCCCC.Cl.Cl
InChIInChI=1S/C8H18.CH4.2ClH/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;1H4;2*1H
InChIKeyZSLFTENLZINGDU-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 54.85
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

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Frequently Asked Questions

What is the IUPAC name of methane;octane;dihydrochloride?
The IUPAC name of methane;octane;dihydrochloride (CID 174397937) is methane;octane;dihydrochloride.
What is the SMILES notation for methane;octane;dihydrochloride?
The canonical SMILES for methane;octane;dihydrochloride is C.CCCCCCCC.Cl.Cl.
What is the InChIKey of methane;octane;dihydrochloride?
The InChIKey is ZSLFTENLZINGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.CH4.2ClH/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;1H4;2*1H.
What are the key properties of methane;octane;dihydrochloride?
methane;octane;dihydrochloride has a molecular weight of 203.20 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;octane;dihydrochloride is sourced from PubChem (CID 174397937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).