3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol

C16H26O — CID 69165134

IUPAC3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1CC(O)=C(C)C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C16H26O/c1-10-9-12(17)11(2)14(16(6,7)8)13(10)15(3,4)5/h17H,1,9H2,2-8H3
InChIKeyHMPXIMGZPLBKIG-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.17
Rot. Bonds

About 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol

3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol (PubChem CID 69165134) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol
PubChem CID69165134
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1CC(O)=C(C)C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C16H26O/c1-10-9-12(17)11(2)14(16(6,7)8)13(10)15(3,4)5/h17H,1,9H2,2-8H3
InChIKeyHMPXIMGZPLBKIG-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethyl-1-cyclohexen-1-ol
CID 21678235
2,6-Di-t-butyl,4-methylcresol
CID 67047598
4-Tert-butylcyclohexa-1,3-dien-1-ol
CID 20038819
6-Methyl-3-propylidenecyclohexen-1-ol
CID 178416660
2,4-Ditert-butylcyclohexa-1,3-dien-1-ol
CID 18939308
5,6-Dimethylidene-3-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1,2,4-triol
CID 20307468
6,6-Dimethyl-4-propylcyclohexa-1,3-dien-1-ol
CID 23192488
4,6,6-Trimethylcyclohexa-1,3-dien-1-ol
CID 23284232
4-Tert-butyl-6,6-dimethylcyclohexa-1,3-dien-1-ol
CID 67421653
2-Methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol
CID 69023302
4,6-Ditert-butyl-6-methylcyclohexa-1,3-dien-1-ol
CID 69471796
2,2-Di-t-butyl-p-cresol
CID 69861713

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol?
The IUPAC name of 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol (CID 69165134) is 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol is C=C1CC(O)=C(C)C(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol?
The InChIKey is HMPXIMGZPLBKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-10-9-12(17)11(2)14(16(6,7)8)13(10)15(3,4)5/h17H,1,9H2,2-8H3.
What are the key properties of 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol?
3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol has a molecular weight of 234.38 g/mol, XLogP of 5.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-2-methyl-5-methylidenecyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 69165134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).