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

C17H30O2 — CID 151205296

IUPAC6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol
SMILESCCOC1=CC(C)=CC(C(C)(C)C)(C(C)(C)C)C1O
InChIInChI=1S/C17H30O2/c1-9-19-13-10-12(2)11-17(14(13)18,15(3,4)5)16(6,7)8/h10-11,14,18H,9H2,1-8H3
InChIKeyNJDNWNJGPCKHCN-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.31
Rot. Bonds2

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

6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol (PubChem CID 151205296) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol
PubChem CID151205296
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol
SMILESCCOC1=CC(C)=CC(C(C)(C)C)(C(C)(C)C)C1O
InChIInChI=1S/C17H30O2/c1-9-19-13-10-12(2)11-17(14(13)18,15(3,4)5)16(6,7)8/h10-11,14,18H,9H2,1-8H3
InChIKeyNJDNWNJGPCKHCN-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol (CID 151205296) is 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol is CCOC1=CC(C)=CC(C(C)(C)C)(C(C)(C)C)C1O.
What is the InChIKey of 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is NJDNWNJGPCKHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-9-19-13-10-12(2)11-17(14(13)18,15(3,4)5)16(6,7)8/h10-11,14,18H,9H2,1-8H3.
What are the key properties of 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol?
6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 266.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-ditert-butyl-2-ethoxy-4-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 151205296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).