methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate

C16H24O2 — CID 73352108

IUPACmethyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate
SMILESCOC(=O)C1=C2C[C@@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C
InChIInChI=1S/C16H24O2/c1-10-5-6-11-9-13-12(14(17)18-4)7-8-16(10,13)15(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,16+/m1/s1
InChIKeyDGOUGOOBFKBPQX-GDLVEWKHSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds1

About methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate

methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate (PubChem CID 73352108) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate
PubChem CID73352108
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Namemethyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate
SMILESCOC(=O)C1=C2C[C@@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C
InChIInChI=1S/C16H24O2/c1-10-5-6-11-9-13-12(14(17)18-4)7-8-16(10,13)15(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,16+/m1/s1
InChIKeyDGOUGOOBFKBPQX-GDLVEWKHSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate?
The IUPAC name of methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate (CID 73352108) is methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate.
What is the SMILES notation for methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate?
The canonical SMILES for methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate is COC(=O)C1=C2C[C@@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C.
What is the InChIKey of methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate?
The InChIKey is DGOUGOOBFKBPQX-GDLVEWKHSA-N. The full InChI is InChI=1S/C16H24O2/c1-10-5-6-11-9-13-12(14(17)18-4)7-8-16(10,13)15(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,16+/m1/s1.
What are the key properties of methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate?
methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate has a molecular weight of 248.37 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,7S,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate is sourced from PubChem (CID 73352108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).