1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol

C12H24O — CID 138606662

IUPAC1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol
SMILESCC1CC(C)[C@@](C)(C(C)O)CC1C
InChIInChI=1S/C12H24O/c1-8-6-10(3)12(5,11(4)13)7-9(8)2/h8-11,13H,6-7H2,1-5H3/t8?,9?,10?,11?,12-/m0/s1
InChIKeyIBUHDTQACFWGMT-SXVYVOEYSA-N
MW184.32 g/mol
LogP3.08
Rot. Bonds1

About 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol

1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol (PubChem CID 138606662) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol.

Molecular Properties

Compound Name1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol
PubChem CID138606662
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol
SMILESCC1CC(C)[C@@](C)(C(C)O)CC1C
InChIInChI=1S/C12H24O/c1-8-6-10(3)12(5,11(4)13)7-9(8)2/h8-11,13H,6-7H2,1-5H3/t8?,9?,10?,11?,12-/m0/s1
InChIKeyIBUHDTQACFWGMT-SXVYVOEYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol?
The IUPAC name of 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol (CID 138606662) is 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol.
What is the SMILES notation for 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol?
The canonical SMILES for 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol is CC1CC(C)[C@@](C)(C(C)O)CC1C.
What is the InChIKey of 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol?
The InChIKey is IBUHDTQACFWGMT-SXVYVOEYSA-N. The full InChI is InChI=1S/C12H24O/c1-8-6-10(3)12(5,11(4)13)7-9(8)2/h8-11,13H,6-7H2,1-5H3/t8?,9?,10?,11?,12-/m0/s1.
What are the key properties of 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol?
1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol has a molecular weight of 184.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol is sourced from PubChem (CID 138606662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).