methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate

C16H26O4 — CID 86175836

IUPACmethyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1C1CCCCC1C(=O)OC
InChIInChI=1S/C16H26O4/c1-19-15(17)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(18)20-2/h11-14H,3-10H2,1-2H3
InChIKeyFXXNLTBPHAEPQP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.95
Rot. Bonds3

About methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate

methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 86175836) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID86175836
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namemethyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1C1CCCCC1C(=O)OC
InChIInChI=1S/C16H26O4/c1-19-15(17)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(18)20-2/h11-14H,3-10H2,1-2H3
InChIKeyFXXNLTBPHAEPQP-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-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

dimethyl (3aS,4S,7R,8R,8aS)-8-hydroxy-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-4,7-dicarboxylate
CID 25172138
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
CID 12741296
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
trans-methyl (1S,2R)-2-formylcyclohexane-1-carboxylate
CID 11126697
methyl 2-(dimethylamino)cyclohexane-1-carboxylate
CID 130193597
trans-methyl (1R,2R)-2-(2-chloroacetyl)cyclohexane-1-carboxylate
CID 45081202
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate (CID 86175836) is methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate is COC(=O)C1CCCCC1C1CCCCC1C(=O)OC.
What is the InChIKey of methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is FXXNLTBPHAEPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-19-15(17)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(18)20-2/h11-14H,3-10H2,1-2H3.
What are the key properties of methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate?
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 86175836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).