4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol

C12H20O2 — CID 70440356

IUPAC4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol
SMILESCCOC1(C(C)(C)C)C=CC(O)=CC1
InChIInChI=1S/C12H20O2/c1-5-14-12(11(2,3)4)8-6-10(13)7-9-12/h6-8,13H,5,9H2,1-4H3
InChIKeyXVBSNUJTKPJRFB-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.21
Rot. Bonds2

About 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol

4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol (PubChem CID 70440356) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol
PubChem CID70440356
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol
SMILESCCOC1(C(C)(C)C)C=CC(O)=CC1
InChIInChI=1S/C12H20O2/c1-5-14-12(11(2,3)4)8-6-10(13)7-9-12/h6-8,13H,5,9H2,1-4H3
InChIKeyXVBSNUJTKPJRFB-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol (CID 70440356) is 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol is CCOC1(C(C)(C)C)C=CC(O)=CC1.
What is the InChIKey of 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol?
The InChIKey is XVBSNUJTKPJRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-14-12(11(2,3)4)8-6-10(13)7-9-12/h6-8,13H,5,9H2,1-4H3.
What are the key properties of 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol?
4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol has a molecular weight of 196.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70440356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).