4-tert-butyl-1,4-dimethylcyclohexan-1-ol

C12H24O — CID 167288502

IUPAC4-tert-butyl-1,4-dimethylcyclohexan-1-ol
SMILESCC1(O)CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C12H24O/c1-10(2,3)11(4)6-8-12(5,13)9-7-11/h13H,6-9H2,1-5H3
InChIKeyCBADTIQYPNYKOJ-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds

About 4-tert-butyl-1,4-dimethylcyclohexan-1-ol

4-tert-butyl-1,4-dimethylcyclohexan-1-ol (PubChem CID 167288502) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-tert-butyl-1,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1,4-dimethylcyclohexan-1-ol
PubChem CID167288502
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-tert-butyl-1,4-dimethylcyclohexan-1-ol
SMILESCC1(O)CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C12H24O/c1-10(2,3)11(4)6-8-12(5,13)9-7-11/h13H,6-9H2,1-5H3
InChIKeyCBADTIQYPNYKOJ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,4-dimethylcyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1,4-dimethylcyclohexan-1-ol (CID 167288502) is 4-tert-butyl-1,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1,4-dimethylcyclohexan-1-ol is CC1(O)CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1,4-dimethylcyclohexan-1-ol?
The InChIKey is CBADTIQYPNYKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2,3)11(4)6-8-12(5,13)9-7-11/h13H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-1,4-dimethylcyclohexan-1-ol?
4-tert-butyl-1,4-dimethylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 167288502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).