methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate

C13H18O3 — CID 149406753

IUPACmethyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1([C@@]23CC2COC2(CC2)C3)CC1
InChIInChI=1S/C13H18O3/c1-15-10(14)12(4-5-12)13-6-9(13)7-16-11(8-13)2-3-11/h9H,2-8H2,1H3/t9?,13-/m1/s1
InChIKeyYQLCOPPLPCJSQB-WCRCJTMVSA-N
MW222.28 g/mol
LogP1.90
Rot. Bonds2

About methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate

methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate (PubChem CID 149406753) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate
PubChem CID149406753
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namemethyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1([C@@]23CC2COC2(CC2)C3)CC1
InChIInChI=1S/C13H18O3/c1-15-10(14)12(4-5-12)13-6-9(13)7-16-11(8-13)2-3-11/h9H,2-8H2,1H3/t9?,13-/m1/s1
InChIKeyYQLCOPPLPCJSQB-WCRCJTMVSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate
CID 116875048
methyl (1R,3R,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 6543385
dimethyl 4,4-diacetylcyclohexane-1,1-dicarboxylate
CID 71078652
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
methyl (1S,3S,4R)-3-amino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 97036353
methyl 2,2-dichloro-3-methylbicyclo[1.1.1]pentane-1-carboxylate
CID 15579837
dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102319809
1-chloro-2,2-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 139621478
5-methoxycarbonylbicyclo[3.1.0]hexane-1-carboxylic acid
CID 23423440

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate (CID 149406753) is methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate is COC(=O)C1([C@@]23CC2COC2(CC2)C3)CC1.
What is the InChIKey of methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate?
The InChIKey is YQLCOPPLPCJSQB-WCRCJTMVSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-10(14)12(4-5-12)13-6-9(13)7-16-11(8-13)2-3-11/h9H,2-8H2,1H3/t9?,13-/m1/s1.
What are the key properties of methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate?
methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate has a molecular weight of 222.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 149406753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).