methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate

C13H22O2 — CID 101374950

IUPACmethyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(C)CCC[C@]1(C)C(C)C
InChIInChI=1S/C13H22O2/c1-9(2)13(4)8-6-7-10(3)11(13)12(14)15-5/h9H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyJDUVNSZARQUAFY-CYBMUJFWSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds2

About methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate

methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate (PubChem CID 101374950) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate
PubChem CID101374950
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namemethyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(C)CCC[C@]1(C)C(C)C
InChIInChI=1S/C13H22O2/c1-9(2)13(4)8-6-7-10(3)11(13)12(14)15-5/h9H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyJDUVNSZARQUAFY-CYBMUJFWSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate with MolForge

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Related Compounds

methyl 3-methylspiro[4.4]non-3-ene-4-carboxylate
CID 68724882
bis[4-oxo-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl] butanedioate
CID 91469127
methyl 3-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate
CID 10965493
methyl 3-chloro-5-methyl-3-propan-2-ylpyrazole-4-carboxylate
CID 70427421
methyl 2-methylcyclobutene-1-carboxylate
CID 21107903
2-(2,4,5-trimethoxy-3-propan-2-ylphenyl)-1-(2,6,6-trimethylcyclohexen-1-yl)ethanone
CID 14635025
(2,3,4,5,6-pentafluorophenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone
CID 54759919
methyl 1-(1-chloroethyl)-2-oxocyclopentane-1-carboxylate
CID 174604024
8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 170601628
1-(2,6,6-trimethylcyclohexen-1-yl)ethanol
CID 539545
methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate
CID 68723174
methyl 2-methyl-4-oxo-1-propan-2-ylcyclohex-2-ene-1-carboxylate
CID 131859536

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate?
The IUPAC name of methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate (CID 101374950) is methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate.
What is the SMILES notation for methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate?
The canonical SMILES for methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate is COC(=O)C1=C(C)CCC[C@]1(C)C(C)C.
What is the InChIKey of methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate?
The InChIKey is JDUVNSZARQUAFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)13(4)8-6-7-10(3)11(13)12(14)15-5/h9H,6-8H2,1-5H3/t13-/m1/s1.
What are the key properties of methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate?
methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate is sourced from PubChem (CID 101374950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).