2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid

C14H24O3 — CID 65498472

IUPAC2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid
SMILESCCC1CCCCC1OCC1(CC(=O)O)CC1
InChIInChI=1S/C14H24O3/c1-2-11-5-3-4-6-12(11)17-10-14(7-8-14)9-13(15)16/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyQBYFSKIPNJJJBV-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.23
Rot. Bonds6

About 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid

2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid (PubChem CID 65498472) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid
PubChem CID65498472
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid
SMILESCCC1CCCCC1OCC1(CC(=O)O)CC1
InChIInChI=1S/C14H24O3/c1-2-11-5-3-4-6-12(11)17-10-14(7-8-14)9-13(15)16/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyQBYFSKIPNJJJBV-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid
CID 103272485
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
1-[(2-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64574195
[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004168
2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane
CID 66335824
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
2-ethyl-4-(2-ethylcyclohexyl)oxybut-2-enoic acid
CID 77100571
carbonic acid;1,2-diethylcyclohexane
CID 70579518
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
1-ethyl-2-hydroperoxycyclohexane
CID 175085860
2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid
CID 63074126

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid (CID 65498472) is 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid is CCC1CCCCC1OCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid?
The InChIKey is QBYFSKIPNJJJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-11-5-3-4-6-12(11)17-10-14(7-8-14)9-13(15)16/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid?
2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid has a molecular weight of 240.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).