methyl 2-ethylspiro[2.5]octane-6-carboxylate

C12H20O2 — CID 141349397

IUPACmethyl 2-ethylspiro[2.5]octane-6-carboxylate
SMILESCCC1CC12CCC(C(=O)OC)CC2
InChIInChI=1S/C12H20O2/c1-3-10-8-12(10)6-4-9(5-7-12)11(13)14-2/h9-10H,3-8H2,1-2H3
InChIKeyLMFADXLXDXQLFP-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.77
Rot. Bonds2

About methyl 2-ethylspiro[2.5]octane-6-carboxylate

methyl 2-ethylspiro[2.5]octane-6-carboxylate (PubChem CID 141349397) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl 2-ethylspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethylspiro[2.5]octane-6-carboxylate
PubChem CID141349397
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl 2-ethylspiro[2.5]octane-6-carboxylate
SMILESCCC1CC12CCC(C(=O)OC)CC2
InChIInChI=1S/C12H20O2/c1-3-10-8-12(10)6-4-9(5-7-12)11(13)14-2/h9-10H,3-8H2,1-2H3
InChIKeyLMFADXLXDXQLFP-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-aminospiro[2.3]hexane-5-carboxylate
CID 84716589
methyl 4-(aminomethyl)-4-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 75537501
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate
CID 71244310
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride
CID 138991198
methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate
CID 112535163
methyl 2-oxaspiro[3.4]octane-6-carboxylate
CID 165356428
methyl (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylate
CID 99996163
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylspiro[2.5]octane-6-carboxylate?
The IUPAC name of methyl 2-ethylspiro[2.5]octane-6-carboxylate (CID 141349397) is methyl 2-ethylspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for methyl 2-ethylspiro[2.5]octane-6-carboxylate?
The canonical SMILES for methyl 2-ethylspiro[2.5]octane-6-carboxylate is CCC1CC12CCC(C(=O)OC)CC2.
What is the InChIKey of methyl 2-ethylspiro[2.5]octane-6-carboxylate?
The InChIKey is LMFADXLXDXQLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-10-8-12(10)6-4-9(5-7-12)11(13)14-2/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 2-ethylspiro[2.5]octane-6-carboxylate?
methyl 2-ethylspiro[2.5]octane-6-carboxylate has a molecular weight of 196.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 141349397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).