nonadecane;hydrochloride

C19H41Cl — CID 172821128

IUPACnonadecane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C19H40.ClH/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h3-19H2,1-2H3;1H
InChIKeyUFWVQTSVNTURGB-UHFFFAOYSA-N
MW304.99 g/mol
LogP8.08
Rot. Bonds16

About nonadecane;hydrochloride

nonadecane;hydrochloride (PubChem CID 172821128) has the molecular formula C19H41Cl and a molecular weight of 304.99 g/mol. Its IUPAC name is nonadecane;hydrochloride.

Molecular Properties

Compound Namenonadecane;hydrochloride
PubChem CID172821128
Molecular FormulaC19H41Cl
Molecular Weight304.99 g/mol
Exact Mass304.29
IUPAC Namenonadecane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C19H40.ClH/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h3-19H2,1-2H3;1H
InChIKeyUFWVQTSVNTURGB-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.99
LogP ≤ 58.08
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
pentacosane;hydrochloride
CID 172714496
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
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of nonadecane;hydrochloride?
The IUPAC name of nonadecane;hydrochloride (CID 172821128) is nonadecane;hydrochloride.
What is the SMILES notation for nonadecane;hydrochloride?
The canonical SMILES for nonadecane;hydrochloride is CCCCCCCCCCCCCCCCCCC.Cl.
What is the InChIKey of nonadecane;hydrochloride?
The InChIKey is UFWVQTSVNTURGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40.ClH/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h3-19H2,1-2H3;1H.
What are the key properties of nonadecane;hydrochloride?
nonadecane;hydrochloride has a molecular weight of 304.99 g/mol, XLogP of 8.08, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecane;hydrochloride is sourced from PubChem (CID 172821128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).