cyclopropyl cyclopropanecarboxylate

C7H10O2 — CID 54407874

IUPACcyclopropyl cyclopropanecarboxylate
SMILESO=C(OC1CC1)C1CC1
InChIInChI=1S/C7H10O2/c8-7(5-1-2-5)9-6-3-4-6/h5-6H,1-4H2
InChIKeyVSAIEOMLZXVBPS-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.10
Rot. Bonds2

About cyclopropyl cyclopropanecarboxylate

cyclopropyl cyclopropanecarboxylate (PubChem CID 54407874) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is cyclopropyl cyclopropanecarboxylate.

Molecular Properties

Compound Namecyclopropyl cyclopropanecarboxylate
PubChem CID54407874
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Namecyclopropyl cyclopropanecarboxylate
SMILESO=C(OC1CC1)C1CC1
InChIInChI=1S/C7H10O2/c8-7(5-1-2-5)9-6-3-4-6/h5-6H,1-4H2
InChIKeyVSAIEOMLZXVBPS-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl cyclopropanecarboxylate?
The IUPAC name of cyclopropyl cyclopropanecarboxylate (CID 54407874) is cyclopropyl cyclopropanecarboxylate.
What is the SMILES notation for cyclopropyl cyclopropanecarboxylate?
The canonical SMILES for cyclopropyl cyclopropanecarboxylate is O=C(OC1CC1)C1CC1.
What is the InChIKey of cyclopropyl cyclopropanecarboxylate?
The InChIKey is VSAIEOMLZXVBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-7(5-1-2-5)9-6-3-4-6/h5-6H,1-4H2.
What are the key properties of cyclopropyl cyclopropanecarboxylate?
cyclopropyl cyclopropanecarboxylate has a molecular weight of 126.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl cyclopropanecarboxylate is sourced from PubChem (CID 54407874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).