3-tert-butyl-2,2-dimethylhex-5-en-3-ol

C12H24O — CID 11789902

IUPAC3-tert-butyl-2,2-dimethylhex-5-en-3-ol
SMILESC=CCC(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-8-9-12(13,10(2,3)4)11(5,6)7/h8,13H,1,9H2,2-7H3
InChIKeyWNDVARSPOXKERU-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds2

About 3-tert-butyl-2,2-dimethylhex-5-en-3-ol

3-tert-butyl-2,2-dimethylhex-5-en-3-ol (PubChem CID 11789902) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-tert-butyl-2,2-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name3-tert-butyl-2,2-dimethylhex-5-en-3-ol
PubChem CID11789902
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-tert-butyl-2,2-dimethylhex-5-en-3-ol
SMILESC=CCC(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-8-9-12(13,10(2,3)4)11(5,6)7/h8,13H,1,9H2,2-7H3
InChIKeyWNDVARSPOXKERU-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2-dimethylhex-5-en-3-ol?
The IUPAC name of 3-tert-butyl-2,2-dimethylhex-5-en-3-ol (CID 11789902) is 3-tert-butyl-2,2-dimethylhex-5-en-3-ol.
What is the SMILES notation for 3-tert-butyl-2,2-dimethylhex-5-en-3-ol?
The canonical SMILES for 3-tert-butyl-2,2-dimethylhex-5-en-3-ol is C=CCC(O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2,2-dimethylhex-5-en-3-ol?
The InChIKey is WNDVARSPOXKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8-9-12(13,10(2,3)4)11(5,6)7/h8,13H,1,9H2,2-7H3.
What are the key properties of 3-tert-butyl-2,2-dimethylhex-5-en-3-ol?
3-tert-butyl-2,2-dimethylhex-5-en-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2-dimethylhex-5-en-3-ol is sourced from PubChem (CID 11789902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).