methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate

C14H24O3 — CID 79299393

IUPACmethyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCCC1CCCC2(C1)OC2(C(=O)OC)C(C)C
InChIInChI=1S/C14H24O3/c1-5-11-7-6-8-13(9-11)14(17-13,10(2)3)12(15)16-4/h10-11H,5-9H2,1-4H3
InChIKeyJDENGEFWHSHPIO-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.92
Rot. Bonds3

About methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate

methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate (PubChem CID 79299393) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
PubChem CID79299393
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCCC1CCCC2(C1)OC2(C(=O)OC)C(C)C
InChIInChI=1S/C14H24O3/c1-5-11-7-6-8-13(9-11)14(17-13,10(2)3)12(15)16-4/h10-11H,5-9H2,1-4H3
InChIKeyJDENGEFWHSHPIO-UHFFFAOYSA-N
XLogP2.92
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl 5-methyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298643
methyl 2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298854
methyl 6-methyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79297870
methyl 6-methyl-2-propan-2-yl-1,7-dioxaspiro[2.5]octane-2-carboxylate
CID 165444350
methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
CID 79297979
methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate
CID 123912108
methyl 3-methyl-2-propan-2-yl-3-propyloxirane-2-carboxylate
CID 79298434
1-O-(cyclopentylmethyl) 3-O-methyl 2-methylpropanedioate
CID 174748990
methyl 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carboxylate
CID 54908157
methyl 7-methyl-2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
CID 82717879
methyl 2-(2-methylpropyl)-1-oxaspiro[2.5]octane-2-carboxylate
CID 165444419
methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
CID 63739850

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate (CID 79299393) is methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate is CCC1CCCC2(C1)OC2(C(=O)OC)C(C)C.
What is the InChIKey of methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate?
The InChIKey is JDENGEFWHSHPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-11-7-6-8-13(9-11)14(17-13,10(2)3)12(15)16-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate?
methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate has a molecular weight of 240.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 79299393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).