4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C20H32O — CID 90860608

IUPAC4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC(C)(C)CC(c1ccc(O)c2c1CCCC2)C(C)(C)C
InChIInChI=1S/C20H32O/c1-19(2,3)13-17(20(4,5)6)15-11-12-18(21)16-10-8-7-9-14(15)16/h11-12,17,21H,7-10,13H2,1-6H3
InChIKeyJGXSESYNEFOPLA-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.84
Rot. Bonds2

About 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 90860608) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID90860608
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC(C)(C)CC(c1ccc(O)c2c1CCCC2)C(C)(C)C
InChIInChI=1S/C20H32O/c1-19(2,3)13-17(20(4,5)6)15-11-12-18(21)16-10-8-7-9-14(15)16/h11-12,17,21H,7-10,13H2,1-6H3
InChIKeyJGXSESYNEFOPLA-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 90860608) is 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is CC(C)(C)CC(c1ccc(O)c2c1CCCC2)C(C)(C)C.
What is the InChIKey of 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is JGXSESYNEFOPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-19(2,3)13-17(20(4,5)6)15-11-12-18(21)16-10-8-7-9-14(15)16/h11-12,17,21H,7-10,13H2,1-6H3.
What are the key properties of 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,5,5-tetramethylhexan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 90860608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).