propan-2-yl acetate;hydrochloride

C5H11ClO2 — CID 87336432

IUPACpropan-2-yl acetate;hydrochloride
SMILESCC(=O)OC(C)C.Cl
InChIInChI=1S/C5H10O2.ClH/c1-4(2)7-5(3)6;/h4H,1-3H3;1H
InChIKeyVDBGYEHAYGSJTP-UHFFFAOYSA-N
MW138.59 g/mol
LogP1.38
Rot. Bonds1

About propan-2-yl acetate;hydrochloride

propan-2-yl acetate;hydrochloride (PubChem CID 87336432) has the molecular formula C5H11ClO2 and a molecular weight of 138.59 g/mol. Its IUPAC name is propan-2-yl acetate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl acetate;hydrochloride
PubChem CID87336432
Molecular FormulaC5H11ClO2
Molecular Weight138.59 g/mol
Exact Mass138.04
IUPAC Namepropan-2-yl acetate;hydrochloride
SMILESCC(=O)OC(C)C.Cl
InChIInChI=1S/C5H10O2.ClH/c1-4(2)7-5(3)6;/h4H,1-3H3;1H
InChIKeyVDBGYEHAYGSJTP-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.59
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl acetate;hydrochloride?
The IUPAC name of propan-2-yl acetate;hydrochloride (CID 87336432) is propan-2-yl acetate;hydrochloride.
What is the SMILES notation for propan-2-yl acetate;hydrochloride?
The canonical SMILES for propan-2-yl acetate;hydrochloride is CC(=O)OC(C)C.Cl.
What is the InChIKey of propan-2-yl acetate;hydrochloride?
The InChIKey is VDBGYEHAYGSJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.ClH/c1-4(2)7-5(3)6;/h4H,1-3H3;1H.
What are the key properties of propan-2-yl acetate;hydrochloride?
propan-2-yl acetate;hydrochloride has a molecular weight of 138.59 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl acetate;hydrochloride is sourced from PubChem (CID 87336432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).