bis(heptane);hydrochloride

C14H33Cl — CID 160833718

IUPACbis(heptane);hydrochloride
SMILESCCCCCCC.CCCCCCC.Cl
InChIInChI=1S/2C7H16.ClH/c2*1-3-5-7-6-4-2;/h2*3-7H2,1-2H3;1H
InChIKeySHDHJYTVDNQJGU-UHFFFAOYSA-N
MW236.87 g/mol
LogP6.38
Rot. Bonds8

About bis(heptane);hydrochloride

bis(heptane);hydrochloride (PubChem CID 160833718) has the molecular formula C14H33Cl and a molecular weight of 236.87 g/mol. Its IUPAC name is bis(heptane);hydrochloride.

Molecular Properties

Compound Namebis(heptane);hydrochloride
PubChem CID160833718
Molecular FormulaC14H33Cl
Molecular Weight236.87 g/mol
Exact Mass236.23
IUPAC Namebis(heptane);hydrochloride
SMILESCCCCCCC.CCCCCCC.Cl
InChIInChI=1S/2C7H16.ClH/c2*1-3-5-7-6-4-2;/h2*3-7H2,1-2H3;1H
InChIKeySHDHJYTVDNQJGU-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.87
LogP ≤ 56.38
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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CID 143212018
pentacosane;hydrochloride
CID 172714496
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CID 172821128
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CID 175501735
bis(octane);silane;dihydrochloride
CID 173470119
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
methane;octane;dihydrochloride
CID 174397937
dodecane;phosphane;dihydrochloride
CID 173449681
henoctacontane
CID 22086342
hexane;tetrahydrochloride
CID 18520801
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of bis(heptane);hydrochloride?
The IUPAC name of bis(heptane);hydrochloride (CID 160833718) is bis(heptane);hydrochloride.
What is the SMILES notation for bis(heptane);hydrochloride?
The canonical SMILES for bis(heptane);hydrochloride is CCCCCCC.CCCCCCC.Cl.
What is the InChIKey of bis(heptane);hydrochloride?
The InChIKey is SHDHJYTVDNQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.ClH/c2*1-3-5-7-6-4-2;/h2*3-7H2,1-2H3;1H.
What are the key properties of bis(heptane);hydrochloride?
bis(heptane);hydrochloride has a molecular weight of 236.87 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(heptane);hydrochloride is sourced from PubChem (CID 160833718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).