(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate

C13H20O2 — CID 147677229

IUPAC(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate
SMILESCC(=O)OC1(C)C2CC(C)CC3CC1C32
InChIInChI=1S/C13H20O2/c1-7-4-9-6-11-12(9)10(5-7)13(11,3)15-8(2)14/h7,9-12H,4-6H2,1-3H3
InChIKeyGOKBQZSOJZBNBY-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds1

About (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate

(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate (PubChem CID 147677229) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate.

Molecular Properties

Compound Name(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate
PubChem CID147677229
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate
SMILESCC(=O)OC1(C)C2CC(C)CC3CC1C32
InChIInChI=1S/C13H20O2/c1-7-4-9-6-11-12(9)10(5-7)13(11,3)15-8(2)14/h7,9-12H,4-6H2,1-3H3
InChIKeyGOKBQZSOJZBNBY-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 123611372
(4-iodo-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) acetate
CID 102375217
[(1S,3R,6R)-3,7,7-trimethyl-4-oxo-3-bicyclo[4.1.0]heptanyl] acetate
CID 131865122
[(1R,2R,4S,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl] acetate
CID 91752707
(2-methylcuban-1-yl) acetate
CID 15274685
2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
CID 22894527
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate
CID 14319660
1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol
CID 139596512
(3-cyclopentyl-2,2-dimethylcyclopentyl) acetate
CID 11521441
1,3-dimethylcyclobutane;2,6-dimethylspiro[3.3]heptane;methane;methoxymethane;methyl acetate
CID 159854262

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate?
The IUPAC name of (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate (CID 147677229) is (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate.
What is the SMILES notation for (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate?
The canonical SMILES for (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate is CC(=O)OC1(C)C2CC(C)CC3CC1C32.
What is the InChIKey of (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate?
The InChIKey is GOKBQZSOJZBNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-7-4-9-6-11-12(9)10(5-7)13(11,3)15-8(2)14/h7,9-12H,4-6H2,1-3H3.
What are the key properties of (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate?
(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate has a molecular weight of 208.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) acetate is sourced from PubChem (CID 147677229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).