5-tert-butyl-2,3-dimethylcyclohexan-1-ol

C12H24O — CID 58534407

IUPAC5-tert-butyl-2,3-dimethylcyclohexan-1-ol
SMILESCC1CC(C(C)(C)C)CC(O)C1C
InChIInChI=1S/C12H24O/c1-8-6-10(12(3,4)5)7-11(13)9(8)2/h8-11,13H,6-7H2,1-5H3
InChIKeyNZCQIFLFLZPFKX-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.08
Rot. Bonds

About 5-tert-butyl-2,3-dimethylcyclohexan-1-ol

5-tert-butyl-2,3-dimethylcyclohexan-1-ol (PubChem CID 58534407) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name5-tert-butyl-2,3-dimethylcyclohexan-1-ol
PubChem CID58534407
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-tert-butyl-2,3-dimethylcyclohexan-1-ol
SMILESCC1CC(C(C)(C)C)CC(O)C1C
InChIInChI=1S/C12H24O/c1-8-6-10(12(3,4)5)7-11(13)9(8)2/h8-11,13H,6-7H2,1-5H3
InChIKeyNZCQIFLFLZPFKX-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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 5-tert-butyl-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 5-tert-butyl-2,3-dimethylcyclohexan-1-ol (CID 58534407) is 5-tert-butyl-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 5-tert-butyl-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 5-tert-butyl-2,3-dimethylcyclohexan-1-ol is CC1CC(C(C)(C)C)CC(O)C1C.
What is the InChIKey of 5-tert-butyl-2,3-dimethylcyclohexan-1-ol?
The InChIKey is NZCQIFLFLZPFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8-6-10(12(3,4)5)7-11(13)9(8)2/h8-11,13H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-2,3-dimethylcyclohexan-1-ol?
5-tert-butyl-2,3-dimethylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 58534407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).