1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol

C16H28O — CID 90738720

IUPAC1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol
SMILESCC(O)C1(C)CC2C(=CCCC2(C)C)CC1C
InChIInChI=1S/C16H28O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h7,11-12,14,17H,6,8-10H2,1-5H3
InChIKeyNVQIULZQSPQGQI-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.17
Rot. Bonds1

About 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol

1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol (PubChem CID 90738720) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol
PubChem CID90738720
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol
SMILESCC(O)C1(C)CC2C(=CCCC2(C)C)CC1C
InChIInChI=1S/C16H28O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h7,11-12,14,17H,6,8-10H2,1-5H3
InChIKeyNVQIULZQSPQGQI-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol 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

2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
CID 20531512
1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol
CID 138606662
N-(2-methoxyphenyl)-3,3,5,5-tetramethyl-1,2,4,4a,6,7-hexahydronaphthalen-2-amine
CID 23239154
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
CID 15801257
(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
CID 124810976
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
(1S,3R)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butane-1,3-diol
CID 11846611
(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol
CID 54495644
1-[(1S,3aR,7aR)-3a-hydroxy-1,7a-dimethyl-2,3,6,7-tetrahydro-1H-inden-4-yl]ethanone
CID 90345883
(E)-2,3-dimethyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal
CID 6437431
N-[[(2R,3R,8aS)-3,8,8-trimethyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl]methylideneamino]-2-phenylacetamide
CID 6754677
(2S)-1,1,2-trimethylcyclopropane
CID 25022262

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol?
The IUPAC name of 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol (CID 90738720) is 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol is CC(O)C1(C)CC2C(=CCCC2(C)C)CC1C.
What is the InChIKey of 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol?
The InChIKey is NVQIULZQSPQGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h7,11-12,14,17H,6,8-10H2,1-5H3.
What are the key properties of 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol?
1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol has a molecular weight of 236.40 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 90738720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).