methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate

C15H26O2 — CID 166948755

IUPACmethyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate
SMILESCOC(=O)C1CC2CC(C)C(C(C)C)C(C2)C1
InChIInChI=1S/C15H26O2/c1-9(2)14-10(3)5-11-6-12(14)8-13(7-11)15(16)17-4/h9-14H,5-8H2,1-4H3
InChIKeyWXWMVRQSIUZIBR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.50
Rot. Bonds2

About methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate

methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate (PubChem CID 166948755) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate
PubChem CID166948755
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namemethyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate
SMILESCOC(=O)C1CC2CC(C)C(C(C)C)C(C2)C1
InChIInChI=1S/C15H26O2/c1-9(2)14-10(3)5-11-6-12(14)8-13(7-11)15(16)17-4/h9-14H,5-8H2,1-4H3
InChIKeyWXWMVRQSIUZIBR-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-methyl (3R,4R)-3,4-di(propan-2-yl)cyclopentane-1-carboxylate
CID 59408300
methyl 5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 105441123
methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate
CID 91347933
methyl 5-carbamoyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 166848927
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
methyl (2R,3aR,5S,7aS)-5-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
CID 124857523
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate
CID 105452324
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate?
The IUPAC name of methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate (CID 166948755) is methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate.
What is the SMILES notation for methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate?
The canonical SMILES for methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate is COC(=O)C1CC2CC(C)C(C(C)C)C(C2)C1.
What is the InChIKey of methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate?
The InChIKey is WXWMVRQSIUZIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)14-10(3)5-11-6-12(14)8-13(7-11)15(16)17-4/h9-14H,5-8H2,1-4H3.
What are the key properties of methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate?
methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate has a molecular weight of 238.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-6-propan-2-ylbicyclo[3.3.1]nonane-3-carboxylate is sourced from PubChem (CID 166948755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).