1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone

C16H28O — CID 175456204

IUPAC1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone
SMILESCC(=O)C1(C)CC2(C)C(C)CCCC2CC1C
InChIInChI=1S/C16H28O/c1-11-7-6-8-14-9-12(2)15(4,13(3)17)10-16(11,14)5/h11-12,14H,6-10H2,1-5H3
InChIKeyMOEXTGQMPXSMKU-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.45
Rot. Bonds1

About 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone

1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone (PubChem CID 175456204) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone
PubChem CID175456204
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone
SMILESCC(=O)C1(C)CC2(C)C(C)CCCC2CC1C
InChIInChI=1S/C16H28O/c1-11-7-6-8-14-9-12(2)15(4,13(3)17)10-16(11,14)5/h11-12,14H,6-10H2,1-5H3
InChIKeyMOEXTGQMPXSMKU-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone with MolForge

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Related Compounds

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(1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl) acetate
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1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
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1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
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2-cyclopentyl-2-methylcyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone (CID 175456204) is 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone is CC(=O)C1(C)CC2(C)C(C)CCCC2CC1C.
What is the InChIKey of 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone?
The InChIKey is MOEXTGQMPXSMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-11-7-6-8-14-9-12(2)15(4,13(3)17)10-16(11,14)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone?
1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone has a molecular weight of 236.40 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 175456204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).