acetic acid;ethylcyclopropane

C7H14O2 — CID 175213909

IUPACacetic acid;ethylcyclopropane
SMILESCC(=O)O.CCC1CC1
InChIInChI=1S/C5H10.C2H4O2/c1-2-5-3-4-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4)
InChIKeyLWSLCKZRQAOWCH-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds1

About acetic acid;ethylcyclopropane

acetic acid;ethylcyclopropane (PubChem CID 175213909) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is acetic acid;ethylcyclopropane.

Molecular Properties

Compound Nameacetic acid;ethylcyclopropane
PubChem CID175213909
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameacetic acid;ethylcyclopropane
SMILESCC(=O)O.CCC1CC1
InChIInChI=1S/C5H10.C2H4O2/c1-2-5-3-4-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4)
InChIKeyLWSLCKZRQAOWCH-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-aminoacetic acid;ethylcyclopropane
CID 144543522
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
bis(but-3-en-2-one);1,4-diethylcyclohexane;ethene;propane
CID 145237669
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343
ethylcyclobutane;tris(2-methylprop-2-enoic acid)
CID 67802354
ethylcycloheptane;2-methylprop-2-enoic acid
CID 68583536
(E)-3-[(4-ethylcyclohexyl)methylamino]prop-2-enoic acid
CID 103240771
2-(4-ethylcyclohexyl)-2-fluoroacetic acid
CID 81358265
2-ethyl-2-(4-ethylcyclohexyl)butanoic acid
CID 79426228

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethylcyclopropane?
The IUPAC name of acetic acid;ethylcyclopropane (CID 175213909) is acetic acid;ethylcyclopropane.
What is the SMILES notation for acetic acid;ethylcyclopropane?
The canonical SMILES for acetic acid;ethylcyclopropane is CC(=O)O.CCC1CC1.
What is the InChIKey of acetic acid;ethylcyclopropane?
The InChIKey is LWSLCKZRQAOWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C2H4O2/c1-2-5-3-4-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethylcyclopropane?
acetic acid;ethylcyclopropane has a molecular weight of 130.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethylcyclopropane is sourced from PubChem (CID 175213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).