pentacosane;hydrochloride

C25H53Cl — CID 172714496

IUPACpentacosane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C25H52.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h3-25H2,1-2H3;1H
InChIKeyFRJWMBTXOHHILD-UHFFFAOYSA-N
MW389.15 g/mol
LogP10.42
Rot. Bonds22

About pentacosane;hydrochloride

pentacosane;hydrochloride (PubChem CID 172714496) has the molecular formula C25H53Cl and a molecular weight of 389.15 g/mol. Its IUPAC name is pentacosane;hydrochloride.

Molecular Properties

Compound Namepentacosane;hydrochloride
PubChem CID172714496
Molecular FormulaC25H53Cl
Molecular Weight389.15 g/mol
Exact Mass388.38
IUPAC Namepentacosane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C25H52.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h3-25H2,1-2H3;1H
InChIKeyFRJWMBTXOHHILD-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.15
LogP ≤ 510.42
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
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
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of pentacosane;hydrochloride?
The IUPAC name of pentacosane;hydrochloride (CID 172714496) is pentacosane;hydrochloride.
What is the SMILES notation for pentacosane;hydrochloride?
The canonical SMILES for pentacosane;hydrochloride is CCCCCCCCCCCCCCCCCCCCCCCCC.Cl.
What is the InChIKey of pentacosane;hydrochloride?
The InChIKey is FRJWMBTXOHHILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h3-25H2,1-2H3;1H.
What are the key properties of pentacosane;hydrochloride?
pentacosane;hydrochloride has a molecular weight of 389.15 g/mol, XLogP of 10.42, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosane;hydrochloride is sourced from PubChem (CID 172714496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).