ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane

C13H26O — CID 22755363

IUPACethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
SMILESCCC1CC2C(C)(C)C2(C)C1.CCO
InChIInChI=1S/C11H20.C2H6O/c1-5-8-6-9-10(2,3)11(9,4)7-8;1-2-3/h8-9H,5-7H2,1-4H3;3H,2H2,1H3
InChIKeyYCCKBGXAEGDWSB-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds1

About ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane

ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane (PubChem CID 22755363) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
PubChem CID22755363
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nameethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
SMILESCCC1CC2C(C)(C)C2(C)C1.CCO
InChIInChI=1S/C11H20.C2H6O/c1-5-8-6-9-10(2,3)11(9,4)7-8;1-2-3/h8-9H,5-7H2,1-4H3;3H,2H2,1H3
InChIKeyYCCKBGXAEGDWSB-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
CID 22755364
(6-ethylspiro[3.3]heptan-2-yl)methanol
CID 122429211
(4-ethyl-2-methylpiperidin-2-yl)methanol
CID 117258535
(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
CID 130488861
(4-ethyl-2-methylpyrrolidin-2-yl)methanol
CID 117270750
1,3-diethyl-1-methylcyclobutane
CID 21053928
5-ethyl-1,2,7-trimethylspiro[2.4]heptane
CID 123662454
(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methanol
CID 130488936
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol
CID 174342158
3-ethyl-1,1-difluoro-5-methylcyclohexane
CID 121407308
(1-amino-4-ethylcyclohexyl)methanol
CID 61055822

Frequently Asked Questions

What is the IUPAC name of ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane?
The IUPAC name of ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane (CID 22755363) is ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane.
What is the SMILES notation for ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane?
The canonical SMILES for ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane is CCC1CC2C(C)(C)C2(C)C1.CCO.
What is the InChIKey of ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane?
The InChIKey is YCCKBGXAEGDWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C2H6O/c1-5-8-6-9-10(2,3)11(9,4)7-8;1-2-3/h8-9H,5-7H2,1-4H3;3H,2H2,1H3.
What are the key properties of ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane?
ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane has a molecular weight of 198.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 22755363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).