5-methoxy-5-methylcyclohexa-1,3-dien-1-ol

C8H12O2 — CID 53411170

IUPAC5-methoxy-5-methylcyclohexa-1,3-dien-1-ol
SMILESCOC1(C)C=CC=C(O)C1
InChIInChI=1S/C8H12O2/c1-8(10-2)5-3-4-7(9)6-8/h3-5,9H,6H2,1-2H3
InChIKeyDIVNTMRZZUJXBC-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.79
Rot. Bonds1

About 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol

5-methoxy-5-methylcyclohexa-1,3-dien-1-ol (PubChem CID 53411170) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-methoxy-5-methylcyclohexa-1,3-dien-1-ol
PubChem CID53411170
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-methoxy-5-methylcyclohexa-1,3-dien-1-ol
SMILESCOC1(C)C=CC=C(O)C1
InChIInChI=1S/C8H12O2/c1-8(10-2)5-3-4-7(9)6-8/h3-5,9H,6H2,1-2H3
InChIKeyDIVNTMRZZUJXBC-UHFFFAOYSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol (CID 53411170) is 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol is COC1(C)C=CC=C(O)C1.
What is the InChIKey of 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is DIVNTMRZZUJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(10-2)5-3-4-7(9)6-8/h3-5,9H,6H2,1-2H3.
What are the key properties of 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol?
5-methoxy-5-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 140.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 53411170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).