methyl formate;octane;hydrochloride

C10H23ClO2 — CID 174875617

IUPACmethyl formate;octane;hydrochloride
SMILESCCCCCCCC.COC=O.Cl
InChIInChI=1S/C8H18.C2H4O2.ClH/c1-3-5-7-8-6-4-2;1-4-2-3;/h3-8H2,1-2H3;2H,1H3;1H
InChIKeyCSAIUQZLQSGIAQ-UHFFFAOYSA-N
MW210.74 g/mol
LogP3.58
Rot. Bonds6

About methyl formate;octane;hydrochloride

methyl formate;octane;hydrochloride (PubChem CID 174875617) has the molecular formula C10H23ClO2 and a molecular weight of 210.74 g/mol. Its IUPAC name is methyl formate;octane;hydrochloride.

Molecular Properties

Compound Namemethyl formate;octane;hydrochloride
PubChem CID174875617
Molecular FormulaC10H23ClO2
Molecular Weight210.74 g/mol
Exact Mass210.14
IUPAC Namemethyl formate;octane;hydrochloride
SMILESCCCCCCCC.COC=O.Cl
InChIInChI=1S/C8H18.C2H4O2.ClH/c1-3-5-7-8-6-4-2;1-4-2-3;/h3-8H2,1-2H3;2H,1H3;1H
InChIKeyCSAIUQZLQSGIAQ-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.74
LogP ≤ 53.58
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

decyl formate;hydrochloride
CID 174405844
ethyl formate;heptane
CID 159019275
methoxymethane;undecane
CID 174775722
bis(heptane);hydrochloride
CID 160833718
icosane;tetrahydrochloride
CID 143212018
decane;ruthenium
CID 160818595
nonadecane;hydrochloride
CID 172821128
pentacosane;hydrochloride
CID 172714496
hexacosyl formate
CID 87446465
decanal;dihydrochloride
CID 87616227
ruthenium;tridecanal
CID 175429355
formyl formate;hexane;methanol
CID 159655348

Frequently Asked Questions

What is the IUPAC name of methyl formate;octane;hydrochloride?
The IUPAC name of methyl formate;octane;hydrochloride (CID 174875617) is methyl formate;octane;hydrochloride.
What is the SMILES notation for methyl formate;octane;hydrochloride?
The canonical SMILES for methyl formate;octane;hydrochloride is CCCCCCCC.COC=O.Cl.
What is the InChIKey of methyl formate;octane;hydrochloride?
The InChIKey is CSAIUQZLQSGIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C2H4O2.ClH/c1-3-5-7-8-6-4-2;1-4-2-3;/h3-8H2,1-2H3;2H,1H3;1H.
What are the key properties of methyl formate;octane;hydrochloride?
methyl formate;octane;hydrochloride has a molecular weight of 210.74 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;octane;hydrochloride is sourced from PubChem (CID 174875617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).