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

C15H26O — CID 68741412

IUPAC1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(C(C)(C)C)C(O)(C(C)(C)C)C=C1
InChIInChI=1S/C15H26O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h8-10,12,16H,1-7H3
InChIKeyOSVKHTYJGSWIBJ-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds

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

1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol (PubChem CID 68741412) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol
PubChem CID68741412
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(C(C)(C)C)C(O)(C(C)(C)C)C=C1
InChIInChI=1S/C15H26O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h8-10,12,16H,1-7H3
InChIKeyOSVKHTYJGSWIBJ-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

Npc14594
CID 519323
xi-p-Mentha-1(7),2-dien-4-ol
CID 5319360
(2R,6R,2'S)-2-(4-Hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-3',4'-didehydro-1',2'-dihydro-epsilon,psi-caroten-1'-ol
CID 163091163
Isohumbertiol
CID 131752906
(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
CID 118715382
2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
CID 13965283
3-Methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 163189860
1,5,5-Trimethylcyclohex-2-en-1-ol
CID 11469121
3,7-Dimethyl-4-(prop-1-en-2-yl)octa-1,6-dien-3-ol
CID 12452972
2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
CID 13965282
Methylxylenol
CID 17854933
2,6-Di-t-butyl-1-hydroxytoluene
CID 19957770

Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol (CID 68741412) is 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol is CC1=CC(C(C)(C)C)C(O)(C(C)(C)C)C=C1.
What is the InChIKey of 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is OSVKHTYJGSWIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-8-9-15(16,14(5,6)7)12(10-11)13(2,3)4/h8-10,12,16H,1-7H3.
What are the key properties of 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol?
1,6-ditert-butyl-4-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 1,6-ditert-butyl-4-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68741412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).