(3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate

C14H24O2 — CID 143331483

IUPAC(3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate
SMILESCCC1CC2CCCC(C2)C1(C)OC(C)=O
InChIInChI=1S/C14H24O2/c1-4-12-8-11-6-5-7-13(9-11)14(12,3)16-10(2)15/h11-13H,4-9H2,1-3H3
InChIKeyQLJBPZYCRVWINW-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.54
Rot. Bonds2

About (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate

(3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate (PubChem CID 143331483) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate.

Molecular Properties

Compound Name(3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate
PubChem CID143331483
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate
SMILESCCC1CC2CCCC(C2)C1(C)OC(C)=O
InChIInChI=1S/C14H24O2/c1-4-12-8-11-6-5-7-13(9-11)14(12,3)16-10(2)15/h11-13H,4-9H2,1-3H3
InChIKeyQLJBPZYCRVWINW-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-diethyl-2-bicyclo[3.3.1]nonanyl) 2-methylprop-2-enoate
CID 66612867
(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate
CID 68741110
(1-cyclobutylcyclopentyl) acetate
CID 177097462
(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate
CID 87200662
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
(3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate
CID 130236042
(1-cyclohexylcyclopropyl) acetate
CID 91131251
[(1R,3S)-1,2,2-trimethyl-3-pent-2-enylcyclopentyl] acetate
CID 70472830
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
(1-cyclohexylcyclopentyl) acetate
CID 12039389
1-bicyclo[3.3.2]decanyl acetate
CID 14119621
1-(3-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429223

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate?
The IUPAC name of (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate (CID 143331483) is (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate.
What is the SMILES notation for (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate?
The canonical SMILES for (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate is CCC1CC2CCCC(C2)C1(C)OC(C)=O.
What is the InChIKey of (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate?
The InChIKey is QLJBPZYCRVWINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-12-8-11-6-5-7-13(9-11)14(12,3)16-10(2)15/h11-13H,4-9H2,1-3H3.
What are the key properties of (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate?
(3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate has a molecular weight of 224.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl) acetate is sourced from PubChem (CID 143331483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).