cyclopropanecarboxylic acid;ethylcyclopropane

C9H16O2 — CID 70624610

IUPACcyclopropanecarboxylic acid;ethylcyclopropane
SMILESCCC1CC1.O=C(O)C1CC1
InChIInChI=1S/C5H10.C4H6O2/c1-2-5-3-4-5;5-4(6)3-1-2-3/h5H,2-4H2,1H3;3H,1-2H2,(H,5,6)
InChIKeyULVXMIZVFVMXAV-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.29
Rot. Bonds2

About cyclopropanecarboxylic acid;ethylcyclopropane

cyclopropanecarboxylic acid;ethylcyclopropane (PubChem CID 70624610) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;ethylcyclopropane.

Molecular Properties

Compound Namecyclopropanecarboxylic acid;ethylcyclopropane
PubChem CID70624610
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecyclopropanecarboxylic acid;ethylcyclopropane
SMILESCCC1CC1.O=C(O)C1CC1
InChIInChI=1S/C5H10.C4H6O2/c1-2-5-3-4-5;5-4(6)3-1-2-3/h5H,2-4H2,1H3;3H,1-2H2,(H,5,6)
InChIKeyULVXMIZVFVMXAV-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
acetic acid;ethylcyclopropane
CID 175213909
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
CID 126845693
4-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
CID 146591090
ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 145196204
4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694621
2-aminoacetic acid;ethylcyclopropane
CID 144543522
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
4-(methylsulfanylmethyl)cyclohexane-1-carboxylic acid
CID 21085950
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid;ethylcyclopropane?
The IUPAC name of cyclopropanecarboxylic acid;ethylcyclopropane (CID 70624610) is cyclopropanecarboxylic acid;ethylcyclopropane.
What is the SMILES notation for cyclopropanecarboxylic acid;ethylcyclopropane?
The canonical SMILES for cyclopropanecarboxylic acid;ethylcyclopropane is CCC1CC1.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;ethylcyclopropane?
The InChIKey is ULVXMIZVFVMXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H6O2/c1-2-5-3-4-5;5-4(6)3-1-2-3/h5H,2-4H2,1H3;3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid;ethylcyclopropane?
cyclopropanecarboxylic acid;ethylcyclopropane has a molecular weight of 156.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;ethylcyclopropane is sourced from PubChem (CID 70624610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).