cyclopropyl 3-cyclopropylpropanoate

C9H14O2 — CID 175261469

IUPACcyclopropyl 3-cyclopropylpropanoate
SMILESO=C(CCC1CC1)OC1CC1
InChIInChI=1S/C9H14O2/c10-9(11-8-4-5-8)6-3-7-1-2-7/h7-8H,1-6H2
InChIKeyCSUZLIQAXKYWQM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds4

About cyclopropyl 3-cyclopropylpropanoate

cyclopropyl 3-cyclopropylpropanoate (PubChem CID 175261469) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is cyclopropyl 3-cyclopropylpropanoate.

Molecular Properties

Compound Namecyclopropyl 3-cyclopropylpropanoate
PubChem CID175261469
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namecyclopropyl 3-cyclopropylpropanoate
SMILESO=C(CCC1CC1)OC1CC1
InChIInChI=1S/C9H14O2/c10-9(11-8-4-5-8)6-3-7-1-2-7/h7-8H,1-6H2
InChIKeyCSUZLIQAXKYWQM-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl 3-cyclopentylpropanoate
CID 534685
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl] pentanoate
CID 70424682
4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid
CID 70322614
cyclobutyl 3-piperidin-3-ylpropanoate
CID 62217581
butane;3-oxo-3-(4-propylcyclohexyl)oxypropanoic acid
CID 67876933
[bromo(3-cyclopropylpropanoyloxy)indiganyl] 3-cyclopropylpropanoate
CID 144651003
[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate
CID 142724767
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
cyclopropyl decanoate
CID 154321154
[4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate
CID 11587091
dicyclohexyl pentanedioate
CID 15593941

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 3-cyclopropylpropanoate?
The IUPAC name of cyclopropyl 3-cyclopropylpropanoate (CID 175261469) is cyclopropyl 3-cyclopropylpropanoate.
What is the SMILES notation for cyclopropyl 3-cyclopropylpropanoate?
The canonical SMILES for cyclopropyl 3-cyclopropylpropanoate is O=C(CCC1CC1)OC1CC1.
What is the InChIKey of cyclopropyl 3-cyclopropylpropanoate?
The InChIKey is CSUZLIQAXKYWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-9(11-8-4-5-8)6-3-7-1-2-7/h7-8H,1-6H2.
What are the key properties of cyclopropyl 3-cyclopropylpropanoate?
cyclopropyl 3-cyclopropylpropanoate has a molecular weight of 154.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 3-cyclopropylpropanoate is sourced from PubChem (CID 175261469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).