cyclopropylmethyl acetate

C6H10O2 — CID 538333

IUPACcyclopropylmethyl acetate
SMILESCC(=O)OCC1CC1
InChIInChI=1S/C6H10O2/c1-5(7)8-4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyWIJKCDNTPKNICK-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds2

About cyclopropylmethyl acetate

cyclopropylmethyl acetate (PubChem CID 538333) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is cyclopropylmethyl acetate.

Molecular Properties

Compound Namecyclopropylmethyl acetate
PubChem CID538333
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namecyclopropylmethyl acetate
SMILESCC(=O)OCC1CC1
InChIInChI=1S/C6H10O2/c1-5(7)8-4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyWIJKCDNTPKNICK-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl acetate?
The IUPAC name of cyclopropylmethyl acetate (CID 538333) is cyclopropylmethyl acetate.
What is the SMILES notation for cyclopropylmethyl acetate?
The canonical SMILES for cyclopropylmethyl acetate is CC(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl acetate?
The InChIKey is WIJKCDNTPKNICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5(7)8-4-6-2-3-6/h6H,2-4H2,1H3.
What are the key properties of cyclopropylmethyl acetate?
cyclopropylmethyl acetate has a molecular weight of 114.14 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl acetate is sourced from PubChem (CID 538333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).