ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate

C14H24O4 — CID 106874628

IUPACethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCCCC1(C(=O)OCC)OC12CCCCC2OC
InChIInChI=1S/C14H24O4/c1-4-9-14(12(15)17-5-2)13(18-14)10-7-6-8-11(13)16-3/h11H,4-10H2,1-3H3
InChIKeyKYVNIEFLDWAIQH-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.45
Rot. Bonds5

About ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate

ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate (PubChem CID 106874628) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
PubChem CID106874628
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCCCC1(C(=O)OCC)OC12CCCCC2OC
InChIInChI=1S/C14H24O4/c1-4-9-14(12(15)17-5-2)13(18-14)10-7-6-8-11(13)16-3/h11H,4-10H2,1-3H3
InChIKeyKYVNIEFLDWAIQH-UHFFFAOYSA-N
XLogP2.45
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298264
ethyl 4,4-dimethyl-2-propyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 83047841
ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298799
ethyl 6,6-dioxo-2-propyl-1-oxa-6λ6-thiaspiro[2.4]heptane-2-carboxylate
CID 83046824
ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873112
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
CID 141101003
diethyl 1-propylcyclohexane-1,2-dicarboxylate
CID 146562592
ethyl 2-methoxy-1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 106873124
ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate
CID 106873125
ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 106873081
ethyl 2-ethyl-1-oxaspiro[2.7]decane-2-carboxylate
CID 79299007
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate?
The IUPAC name of ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate (CID 106874628) is ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate is CCCC1(C(=O)OCC)OC12CCCCC2OC.
What is the InChIKey of ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate?
The InChIKey is KYVNIEFLDWAIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-9-14(12(15)17-5-2)13(18-14)10-7-6-8-11(13)16-3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate?
ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 106874628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).