2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol

C15H26O — CID 19957770

IUPAC2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC=CC(C(C)(C)C)C1(C)O
InChIInChI=1S/C15H26O/c1-13(2,3)11-9-8-10-12(14(4,5)6)15(11,7)16/h8-11,16H,1-7H3
InChIKeyMLSPENRYOBVDKN-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds

About 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol

2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol (PubChem CID 19957770) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol
PubChem CID19957770
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC=CC(C(C)(C)C)C1(C)O
InChIInChI=1S/C15H26O/c1-13(2,3)11-9-8-10-12(14(4,5)6)15(11,7)16/h8-11,16H,1-7H3
InChIKeyMLSPENRYOBVDKN-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol
CID 155626
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-
CID 12618691
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-
CID 111274
1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 6436846
p-Mentha-2,8-dien-1-ol, (Z)-
CID 5319363
(1S,2E,4S,7E)-1,7-dimethyl-4-(propan-2-yl)cyclodeca-2,7-dien-1-ol
CID 11148775
alpha-Cembratriene-ol
CID 10859245
p-Mentha-1(7),2-dien-8-ol
CID 522161
germacrene D-4-ol
CID 5352847
Thunbergol
CID 5363523
2-(4-Hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-1'-ol
CID 131841585

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol (CID 19957770) is 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol is CC(C)(C)C1=CC=CC(C(C)(C)C)C1(C)O.
What is the InChIKey of 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is MLSPENRYOBVDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2,3)11-9-8-10-12(14(4,5)6)15(11,7)16/h8-11,16H,1-7H3.
What are the key properties of 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol?
2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 19957770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).