methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate

C12H20O4 — CID 102415899

IUPACmethyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate
SMILESCOC(=O)C1CC2CCCC1C2(OC)OC
InChIInChI=1S/C12H20O4/c1-14-11(13)9-7-8-5-4-6-10(9)12(8,15-2)16-3/h8-10H,4-7H2,1-3H3
InChIKeyGHCSDWQQMRCAHQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.58
Rot. Bonds3

About methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate

methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate (PubChem CID 102415899) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate.

Molecular Properties

Compound Namemethyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate
PubChem CID102415899
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate
SMILESCOC(=O)C1CC2CCCC1C2(OC)OC
InChIInChI=1S/C12H20O4/c1-14-11(13)9-7-8-5-4-6-10(9)12(8,15-2)16-3/h8-10H,4-7H2,1-3H3
InChIKeyGHCSDWQQMRCAHQ-UHFFFAOYSA-N
XLogP1.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 8,8-dimethoxybicyclo[3.2.1]octane-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

methyl 9,9-dimethoxybicyclo[3.3.1]nonane-3-carboxylate
CID 90810756
methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate
CID 130331695
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
methyl 2-bromocyclopentane-1-carboxylate
CID 165357827
dimethyl (3aS,4S,7R,8R,8aS)-8-hydroxy-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-4,7-dicarboxylate
CID 25172138

Frequently Asked Questions

What is the IUPAC name of methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate?
The IUPAC name of methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate (CID 102415899) is methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate.
What is the SMILES notation for methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate?
The canonical SMILES for methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate is COC(=O)C1CC2CCCC1C2(OC)OC.
What is the InChIKey of methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate?
The InChIKey is GHCSDWQQMRCAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-14-11(13)9-7-8-5-4-6-10(9)12(8,15-2)16-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate?
methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate is sourced from PubChem (CID 102415899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).