ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate

C9H14O3 — CID 76818496

IUPACethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1C2CCC(O)C21
InChIInChI=1S/C9H14O3/c1-2-12-9(11)8-5-3-4-6(10)7(5)8/h5-8,10H,2-4H2,1H3
InChIKeyRBXCMMRRMCXTGF-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.57
Rot. Bonds2

About ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate

ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 76818496) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID76818496
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1C2CCC(O)C21
InChIInChI=1S/C9H14O3/c1-2-12-9(11)8-5-3-4-6(10)7(5)8/h5-8,10H,2-4H2,1H3
InChIKeyRBXCMMRRMCXTGF-UHFFFAOYSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (1R,6S,7R)-2-hydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 14339029
6-ethoxycarbonylbicyclo[3.1.0]hexane-2-carboxylic acid
CID 121455865
ethyl (1R,2R,5R,6R)-2-formylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469534
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate
CID 176675254
ethyl bicyclo[6.1.0]non-4-ene-9-carboxylate
CID 77425654
ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate
CID 135036680
2-hydroxybicyclo[3.1.0]hexane-6-carboxamide
CID 150840579
(1S,6R,7S)-8-ethoxycarbonyltricyclo[4.2.2.02,5]dec-3-ene-7-carboxylic acid
CID 166941552
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate (CID 76818496) is ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)C1C2CCC(O)C21.
What is the InChIKey of ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is RBXCMMRRMCXTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-12-9(11)8-5-3-4-6(10)7(5)8/h5-8,10H,2-4H2,1H3.
What are the key properties of ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 76818496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).