1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol

C15H26O — CID 141200854

IUPAC1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(O)(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C15H26O/c1-11-9-8-10-15(16,14(5,6)7)12(11)13(2,3)4/h8-10,12,16H,1-7H3
InChIKeyPHCHTSHAWUIHSN-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds

About 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol

1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol (PubChem CID 141200854) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol
PubChem CID141200854
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(O)(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C15H26O/c1-11-9-8-10-15(16,14(5,6)7)12(11)13(2,3)4/h8-10,12,16H,1-7H3
InChIKeyPHCHTSHAWUIHSN-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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Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol (CID 141200854) is 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol is CC1=CC=CC(O)(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is PHCHTSHAWUIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-9-8-10-15(16,14(5,6)7)12(11)13(2,3)4/h8-10,12,16H,1-7H3.
What are the key properties of 1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol?
1,6-ditert-butyl-5-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-5-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141200854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).