methyl 2-methylspiro[2.2]pentane-2-carboxylate

C8H12O2 — CID 580337

IUPACmethyl 2-methylspiro[2.2]pentane-2-carboxylate
SMILESCOC(=O)C1(C)CC12CC2
InChIInChI=1S/C8H12O2/c1-7(6(9)10-2)5-8(7)3-4-8/h3-5H2,1-2H3
InChIKeyBYOQYDOCDMBGOX-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds1

About methyl 2-methylspiro[2.2]pentane-2-carboxylate

methyl 2-methylspiro[2.2]pentane-2-carboxylate (PubChem CID 580337) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 2-methylspiro[2.2]pentane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylspiro[2.2]pentane-2-carboxylate
PubChem CID580337
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 2-methylspiro[2.2]pentane-2-carboxylate
SMILESCOC(=O)C1(C)CC12CC2
InChIInChI=1S/C8H12O2/c1-7(6(9)10-2)5-8(7)3-4-8/h3-5H2,1-2H3
InChIKeyBYOQYDOCDMBGOX-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 130268262
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 2-acetyl-1,2-dimethylcyclopropane-1-carboxylate
CID 45086506
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
trans-methyl (1S,2S)-2-chloro-2,3,3-trifluoro-1-methylcyclobutane-1-carboxylate
CID 26596648
1-methoxycarbonyl-3,3-dimethylcyclobutane-1-carboxylic acid
CID 115017052
methyl 6-[(Z)-4-fluoro-1-[(3Z)-penta-1,3-dien-2-yl]iminopent-2-en-3-yl]-2-methylspiro[2.5]octane-2-carboxylate
CID 138577127
methyl 1-hydroxy-3,3-dimethylcyclopentane-1-carboxylate
CID 80700288
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244
dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
CID 58243403

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylspiro[2.2]pentane-2-carboxylate?
The IUPAC name of methyl 2-methylspiro[2.2]pentane-2-carboxylate (CID 580337) is methyl 2-methylspiro[2.2]pentane-2-carboxylate.
What is the SMILES notation for methyl 2-methylspiro[2.2]pentane-2-carboxylate?
The canonical SMILES for methyl 2-methylspiro[2.2]pentane-2-carboxylate is COC(=O)C1(C)CC12CC2.
What is the InChIKey of methyl 2-methylspiro[2.2]pentane-2-carboxylate?
The InChIKey is BYOQYDOCDMBGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(6(9)10-2)5-8(7)3-4-8/h3-5H2,1-2H3.
What are the key properties of methyl 2-methylspiro[2.2]pentane-2-carboxylate?
methyl 2-methylspiro[2.2]pentane-2-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylspiro[2.2]pentane-2-carboxylate is sourced from PubChem (CID 580337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).