icosane;tetrahydrochloride

C20H46Cl4 — CID 143212018

IUPACicosane;tetrahydrochloride
SMILESCCCCCCCCCCCCCCCCCCCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C20H42.4ClH/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;;/h3-20H2,1-2H3;4*1H
InChIKeyWHKXFGHCVHQZRV-UHFFFAOYSA-N
MW428.40 g/mol
LogP9.74
Rot. Bonds17

About icosane;tetrahydrochloride

icosane;tetrahydrochloride (PubChem CID 143212018) has the molecular formula C20H46Cl4 and a molecular weight of 428.40 g/mol. Its IUPAC name is icosane;tetrahydrochloride.

Molecular Properties

Compound Nameicosane;tetrahydrochloride
PubChem CID143212018
Molecular FormulaC20H46Cl4
Molecular Weight428.40 g/mol
Exact Mass426.24
IUPAC Nameicosane;tetrahydrochloride
SMILESCCCCCCCCCCCCCCCCCCCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C20H42.4ClH/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;;/h3-20H2,1-2H3;4*1H
InChIKeyWHKXFGHCVHQZRV-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 59.74
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

bis(heptane);hydrochloride
CID 160833718
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
heptane;phosphane;trihydrochloride
CID 175501735
methane;octane;dihydrochloride
CID 174397937
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119
dodecane;phosphane;dihydrochloride
CID 173449681
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of icosane;tetrahydrochloride?
The IUPAC name of icosane;tetrahydrochloride (CID 143212018) is icosane;tetrahydrochloride.
What is the SMILES notation for icosane;tetrahydrochloride?
The canonical SMILES for icosane;tetrahydrochloride is CCCCCCCCCCCCCCCCCCCC.Cl.Cl.Cl.Cl.
What is the InChIKey of icosane;tetrahydrochloride?
The InChIKey is WHKXFGHCVHQZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42.4ClH/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;;/h3-20H2,1-2H3;4*1H.
What are the key properties of icosane;tetrahydrochloride?
icosane;tetrahydrochloride has a molecular weight of 428.40 g/mol, XLogP of 9.74, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosane;tetrahydrochloride is sourced from PubChem (CID 143212018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).