2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol

C16H28O — CID 123337911

IUPAC2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol
SMILESCC1CC2=C(CC1(C)CCO)C(C)(C)CCC2
InChIInChI=1S/C16H28O/c1-12-10-13-6-5-7-15(2,3)14(13)11-16(12,4)8-9-17/h12,17H,5-11H2,1-4H3
InChIKeyRNMSIQLMHAEWBS-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.31
Rot. Bonds2

About 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol

2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol (PubChem CID 123337911) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol
PubChem CID123337911
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol
SMILESCC1CC2=C(CC1(C)CCO)C(C)(C)CCC2
InChIInChI=1S/C16H28O/c1-12-10-13-6-5-7-15(2,3)14(13)11-16(12,4)8-9-17/h12,17H,5-11H2,1-4H3
InChIKeyRNMSIQLMHAEWBS-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol (CID 123337911) is 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol is CC1CC2=C(CC1(C)CCO)C(C)(C)CCC2.
What is the InChIKey of 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol?
The InChIKey is RNMSIQLMHAEWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-12-10-13-6-5-7-15(2,3)14(13)11-16(12,4)8-9-17/h12,17H,5-11H2,1-4H3.
What are the key properties of 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol?
2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol has a molecular weight of 236.40 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 123337911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).