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

C16H28O — CID 175479027

IUPAC1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
SMILESCC(=O)C1(C)C(C)CC2CCCCC2C1(C)C
InChIInChI=1S/C16H28O/c1-11-10-13-8-6-7-9-14(13)15(3,4)16(11,5)12(2)17/h11,13-14H,6-10H2,1-5H3
InChIKeySAXGXGBVYSPODA-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.45
Rot. Bonds1

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

1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone (PubChem CID 175479027) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
PubChem CID175479027
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
SMILESCC(=O)C1(C)C(C)CC2CCCCC2C1(C)C
InChIInChI=1S/C16H28O/c1-11-10-13-8-6-7-9-14(13)15(3,4)16(11,5)12(2)17/h11,13-14H,6-10H2,1-5H3
InChIKeySAXGXGBVYSPODA-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-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)propan-1-one
CID 174549331
(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 162269378
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
1-[(1S,3S,6R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]ethanone
CID 154497426
acetic acid;cyclohexylcyclohexane
CID 67293698
1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone
CID 18519297
methyl (1R,4R,4aS,4bR,8aS,10aS)-1,4,4a-trimethyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
CID 125462842
1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone
CID 130029830
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
8-methyl-5,8-bis(prop-1-en-2-yl)-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 146955123

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone (CID 175479027) is 1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone is CC(=O)C1(C)C(C)CC2CCCCC2C1(C)C.
What is the InChIKey of 1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone?
The InChIKey is SAXGXGBVYSPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-11-10-13-8-6-7-9-14(13)15(3,4)16(11,5)12(2)17/h11,13-14H,6-10H2,1-5H3.
What are the key properties of 1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone?
1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-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-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 175479027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).