(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate

C15H26O2 — CID 18336307

IUPAC(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC2CC1C(C)C2C
InChIInChI=1S/C15H26O2/c1-6-15(4,5)14(16)17-13-8-11-7-12(13)10(3)9(11)2/h9-13H,6-8H2,1-5H3
InChIKeyANLACCLUYOKTMU-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.65
Rot. Bonds3

About (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate

(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate (PubChem CID 18336307) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
PubChem CID18336307
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC2CC1C(C)C2C
InChIInChI=1S/C15H26O2/c1-6-15(4,5)14(16)17-13-8-11-7-12(13)10(3)9(11)2/h9-13H,6-8H2,1-5H3
InChIKeyANLACCLUYOKTMU-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5,6-bis(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate
CID 71004666
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide
CID 162013493
methoxymethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-dimethylbutanoate
CID 158143407
(3,4,5-trimethylcyclohexyl) 2,2-dimethylbutanoate
CID 167692238
[5-(2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate
CID 58252791
[4-(1-adamantyl)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl] 2,2-dimethylbutanoate
CID 90164696
(5-isocyano-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate
CID 59815494
butan-2-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-hydroxyethyl 2,2-dimethylbutanoate
CID 162026205
2-[6-(2,2-dimethylbutanoyloxy)-2-bicyclo[2.2.1]heptanyl]-1,1,2,2-tetrafluoroethanesulfonate
CID 58391666
[(1R,5R)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] 2,2-dimethylbutanoate
CID 91867225
2-methylbutan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336244
tert-butyl 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91081182

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate?
The IUPAC name of (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate (CID 18336307) is (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate?
The canonical SMILES for (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CC2CC1C(C)C2C.
What is the InChIKey of (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate?
The InChIKey is ANLACCLUYOKTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(4,5)14(16)17-13-8-11-7-12(13)10(3)9(11)2/h9-13H,6-8H2,1-5H3.
What are the key properties of (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate?
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate has a molecular weight of 238.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 18336307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).