1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone

C18H30O — CID 91380614

IUPAC1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone
SMILESCC(=O)C1(C)CC2CC3CCCC(C)(C)C(C32)C1C
InChIInChI=1S/C18H30O/c1-11-16-15-13(7-6-8-17(16,3)4)9-14(15)10-18(11,5)12(2)19/h11,13-16H,6-10H2,1-5H3
InChIKeyGKOGPJWJIYQGBC-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.70
Rot. Bonds1

About 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone

1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone (PubChem CID 91380614) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone.

Molecular Properties

Compound Name1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone
PubChem CID91380614
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone
SMILESCC(=O)C1(C)CC2CC3CCCC(C)(C)C(C32)C1C
InChIInChI=1S/C18H30O/c1-11-16-15-13(7-6-8-17(16,3)4)9-14(15)10-18(11,5)12(2)19/h11,13-16H,6-10H2,1-5H3
InChIKeyGKOGPJWJIYQGBC-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol
CID 170527264
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
1-[(2R,3S)-3-(2,2,6-trimethylcyclohexyl)oxiran-2-yl]ethanone
CID 22789992
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
3,3,9,10-tetramethyltricyclo[7.1.1.02,7]undecan-8-ol
CID 70531905
1-[(1S,2S)-2-hydroxy-1-methylcyclohexyl]ethanone
CID 42646159
1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 174946291
1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone
CID 175456204
acetaldehyde;methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 144931340
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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone?
The IUPAC name of 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone (CID 91380614) is 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone.
What is the SMILES notation for 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone?
The canonical SMILES for 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone is CC(=O)C1(C)CC2CC3CCCC(C)(C)C(C32)C1C.
What is the InChIKey of 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone?
The InChIKey is GKOGPJWJIYQGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-11-16-15-13(7-6-8-17(16,3)4)9-14(15)10-18(11,5)12(2)19/h11,13-16H,6-10H2,1-5H3.
What are the key properties of 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone?
1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone has a molecular weight of 262.44 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone is sourced from PubChem (CID 91380614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).