methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate

C10H16O3 — CID 44631208

IUPACmethyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)C1[C@H]2[C@H](OC)CCC[C@@H]12
InChIInChI=1S/C10H16O3/c1-12-7-5-3-4-6-8(7)9(6)10(11)13-2/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9?/m1/s1
InChIKeyWYNFZFFUPQFJTN-BYBOBHAWSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds2

About methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate

methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate (PubChem CID 44631208) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate
PubChem CID44631208
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)C1[C@H]2[C@H](OC)CCC[C@@H]12
InChIInChI=1S/C10H16O3/c1-12-7-5-3-4-6-8(7)9(6)10(11)13-2/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9?/m1/s1
InChIKeyWYNFZFFUPQFJTN-BYBOBHAWSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate with MolForge

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Related Compounds

methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
ethyl (1R,6S,7R)-2-hydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 14339029
dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate
CID 90482461
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 175940017
dimethyl (10R,11S)-pentacyclo[5.4.0.02,4.03,9.06,8]undecane-10,11-dicarboxylate
CID 71127857
dimethyl (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylate
CID 44723366
tetramethyl hexacyclo[8.4.1.13,8.02,9.04,7.011,14]hexadecane-5,6,12,13-tetracarboxylate
CID 139948153
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate?
The IUPAC name of methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate (CID 44631208) is methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate.
What is the SMILES notation for methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate?
The canonical SMILES for methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate is COC(=O)C1[C@H]2[C@H](OC)CCC[C@@H]12.
What is the InChIKey of methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate?
The InChIKey is WYNFZFFUPQFJTN-BYBOBHAWSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-7-5-3-4-6-8(7)9(6)10(11)13-2/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9?/m1/s1.
What are the key properties of methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate?
methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,6R)-2-methoxybicyclo[4.1.0]heptane-7-carboxylate is sourced from PubChem (CID 44631208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).