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

C9H14O2 — CID 69341266

IUPAC6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol
SMILESCCOC1(C)C=CC=CC1O
InChIInChI=1S/C9H14O2/c1-3-11-9(2)7-5-4-6-8(9)10/h4-8,10H,3H2,1-2H3
InChIKeyBJRNTPVNRYKWCY-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds2

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

6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 69341266) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID69341266
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol
SMILESCCOC1(C)C=CC=CC1O
InChIInChI=1S/C9H14O2/c1-3-11-9(2)7-5-4-6-8(9)10/h4-8,10H,3H2,1-2H3
InChIKeyBJRNTPVNRYKWCY-UHFFFAOYSA-N
XLogP1.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol (CID 69341266) is 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol is CCOC1(C)C=CC=CC1O.
What is the InChIKey of 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is BJRNTPVNRYKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-9(2)7-5-4-6-8(9)10/h4-8,10H,3H2,1-2H3.
What are the key properties of 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol?
6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69341266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).