propan-2-yloxymethyl cyclopropanecarboxylate

C8H14O3 — CID 157162692

IUPACpropan-2-yloxymethyl cyclopropanecarboxylate
SMILESCC(C)OCOC(=O)C1CC1
InChIInChI=1S/C8H14O3/c1-6(2)10-5-11-8(9)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyACGZQCWREOOVKV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.32
Rot. Bonds4

About propan-2-yloxymethyl cyclopropanecarboxylate

propan-2-yloxymethyl cyclopropanecarboxylate (PubChem CID 157162692) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is propan-2-yloxymethyl cyclopropanecarboxylate.

Molecular Properties

Compound Namepropan-2-yloxymethyl cyclopropanecarboxylate
PubChem CID157162692
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namepropan-2-yloxymethyl cyclopropanecarboxylate
SMILESCC(C)OCOC(=O)C1CC1
InChIInChI=1S/C8H14O3/c1-6(2)10-5-11-8(9)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyACGZQCWREOOVKV-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl cyclopropanecarboxylate
CID 549520
propan-2-yl cyclopropanecarboxylate
CID 550170
ethyl 4-(2-methylpropyl)cyclohexane-1-carboxylate
CID 148815962
ethyl 4-(1-sulfanylethyl)cyclohexane-1-carboxylate
CID 170397920
hydroxymethyl 4-methylcyclohexane-1-carboxylate
CID 137371727
4-methylpentyl cyclopropanecarboxylate
CID 550148
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-(difluoromethyl)cyclohexane-1-carboxylate
CID 59569173
methyl 4-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylate
CID 114450672
1-O-(11-methyldodecyl) 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 91005535
[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 42970333
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxymethyl cyclopropanecarboxylate?
The IUPAC name of propan-2-yloxymethyl cyclopropanecarboxylate (CID 157162692) is propan-2-yloxymethyl cyclopropanecarboxylate.
What is the SMILES notation for propan-2-yloxymethyl cyclopropanecarboxylate?
The canonical SMILES for propan-2-yloxymethyl cyclopropanecarboxylate is CC(C)OCOC(=O)C1CC1.
What is the InChIKey of propan-2-yloxymethyl cyclopropanecarboxylate?
The InChIKey is ACGZQCWREOOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(2)10-5-11-8(9)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of propan-2-yloxymethyl cyclopropanecarboxylate?
propan-2-yloxymethyl cyclopropanecarboxylate has a molecular weight of 158.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxymethyl cyclopropanecarboxylate is sourced from PubChem (CID 157162692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).