decyl formate;hydrochloride

C11H23ClO2 — CID 174405844

IUPACdecyl formate;hydrochloride
SMILESCCCCCCCCCCOC=O.Cl
InChIInChI=1S/C11H22O2.ClH/c1-2-3-4-5-6-7-8-9-10-13-11-12;/h11H,2-10H2,1H3;1H
InChIKeyIHOISRZIEZNQQY-UHFFFAOYSA-N
MW222.76 g/mol
LogP3.72
Rot. Bonds10

About decyl formate;hydrochloride

decyl formate;hydrochloride (PubChem CID 174405844) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is decyl formate;hydrochloride.

Molecular Properties

Compound Namedecyl formate;hydrochloride
PubChem CID174405844
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Namedecyl formate;hydrochloride
SMILESCCCCCCCCCCOC=O.Cl
InChIInChI=1S/C11H22O2.ClH/c1-2-3-4-5-6-7-8-9-10-13-11-12;/h11H,2-10H2,1H3;1H
InChIKeyIHOISRZIEZNQQY-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexacosyl formate
CID 87446465
CID 162323226
CID 162323226
potassium;hydride;pentyl formate
CID 173073840
acetic acid;formic acid;hexadecyl formate
CID 173191278
11-hydroxyheptadecyl formate
CID 135177819
dodec-7-ynyl formate
CID 91552785
ethyl formate;heptane
CID 159019275
13-[butyl(ethyl)amino]tridecyl formate
CID 87852279
3-(butylamino)propyl formate
CID 87316464
4-butylsulfonylbutyl formate
CID 56978488
methyl formate;octane;hydrochloride
CID 174875617
butyl 6-formyloxyhexanoate
CID 57230567

Frequently Asked Questions

What is the IUPAC name of decyl formate;hydrochloride?
The IUPAC name of decyl formate;hydrochloride (CID 174405844) is decyl formate;hydrochloride.
What is the SMILES notation for decyl formate;hydrochloride?
The canonical SMILES for decyl formate;hydrochloride is CCCCCCCCCCOC=O.Cl.
What is the InChIKey of decyl formate;hydrochloride?
The InChIKey is IHOISRZIEZNQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.ClH/c1-2-3-4-5-6-7-8-9-10-13-11-12;/h11H,2-10H2,1H3;1H.
What are the key properties of decyl formate;hydrochloride?
decyl formate;hydrochloride has a molecular weight of 222.76 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl formate;hydrochloride is sourced from PubChem (CID 174405844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).