propan-2-yl formate;dihydrochloride

C4H10Cl2O2 — CID 141306590

IUPACpropan-2-yl formate;dihydrochloride
SMILESCC(C)OC=O.Cl.Cl
InChIInChI=1S/C4H8O2.2ClH/c1-4(2)6-3-5;;/h3-4H,1-2H3;2*1H
InChIKeyYJQFGDOTZBIKBF-UHFFFAOYSA-N
MW161.03 g/mol
LogP1.41
Rot. Bonds2

About propan-2-yl formate;dihydrochloride

propan-2-yl formate;dihydrochloride (PubChem CID 141306590) has the molecular formula C4H10Cl2O2 and a molecular weight of 161.03 g/mol. Its IUPAC name is propan-2-yl formate;dihydrochloride.

Molecular Properties

Compound Namepropan-2-yl formate;dihydrochloride
PubChem CID141306590
Molecular FormulaC4H10Cl2O2
Molecular Weight161.03 g/mol
Exact Mass160.01
IUPAC Namepropan-2-yl formate;dihydrochloride
SMILESCC(C)OC=O.Cl.Cl
InChIInChI=1S/C4H8O2.2ClH/c1-4(2)6-3-5;;/h3-4H,1-2H3;2*1H
InChIKeyYJQFGDOTZBIKBF-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.03
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isopropyl formate
CID 12257
sec-Butyl formate
CID 79049
1-Methylbutyl formate
CID 521836
Pentan-3-yl formate
CID 13878880
Propyl-d1-formate
CID 143739
3-Methoxybutyl formate
CID 228717
1-Methoxypropan-2-yl formate
CID 21221120
Ethyl formate;propan-2-yl formate
CID 22572010
[(2R)-1-methoxypropan-2-yl] formate
CID 22876372
2-Methoxypropyl formate
CID 53706529
4-Methoxybutan-2-yl formate
CID 53804286
3-Propan-2-yloxypropyl formate
CID 54266056

Frequently Asked Questions

What is the IUPAC name of propan-2-yl formate;dihydrochloride?
The IUPAC name of propan-2-yl formate;dihydrochloride (CID 141306590) is propan-2-yl formate;dihydrochloride.
What is the SMILES notation for propan-2-yl formate;dihydrochloride?
The canonical SMILES for propan-2-yl formate;dihydrochloride is CC(C)OC=O.Cl.Cl.
What is the InChIKey of propan-2-yl formate;dihydrochloride?
The InChIKey is YJQFGDOTZBIKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2ClH/c1-4(2)6-3-5;;/h3-4H,1-2H3;2*1H.
What are the key properties of propan-2-yl formate;dihydrochloride?
propan-2-yl formate;dihydrochloride has a molecular weight of 161.03 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl formate;dihydrochloride is sourced from PubChem (CID 141306590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).