6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol

C11H18O3 — CID 140558584

IUPAC6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
SMILESCOCC1(COC)CC(C)=CC=C1O
InChIInChI=1S/C11H18O3/c1-9-4-5-10(12)11(6-9,7-13-2)8-14-3/h4-5,12H,6-8H2,1-3H3
InChIKeyJFIMHOHJXRFAJA-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds4

About 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol

6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 140558584) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
PubChem CID140558584
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
SMILESCOCC1(COC)CC(C)=CC=C1O
InChIInChI=1S/C11H18O3/c1-9-4-5-10(12)11(6-9,7-13-2)8-14-3/h4-5,12H,6-8H2,1-3H3
InChIKeyJFIMHOHJXRFAJA-UHFFFAOYSA-N
XLogP2.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol
CID 14446832
5,5-Bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene
CID 102149759
4,6,6-Trimethylcyclohexa-1,3-dien-1-ol
CID 23284232
4,4,6-Trimethylhept-5-ene-1,3-diol
CID 57071896
4,6-Bis(hydroxymethyl)-6-methylcyclohexa-1,3-dien-1-ol
CID 67684374
4-Tert-butyl-2,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
CID 70857252
2-Octa-1,3-dienyl-2-propylpropane-1,3-diol
CID 87739308
2-Tert-butyl-4,6,6-trimethylcyclohexa-1,3-dien-1-ol
CID 139995052
2,6-Ditert-butyl-6-(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
CID 142679173
2,4-Bis(hydroxymethyl)-4,6-dimethylcyclohexa-1,5-dien-1-ol
CID 147446602
4-Tert-butyl-5-ethylidene-6,6-bis(methoxymethyl)cyclohexa-1,3-dien-1-ol
CID 151828765
2,2-Bis(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,3-diol
CID 153976405

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol (CID 140558584) is 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol is COCC1(COC)CC(C)=CC=C1O.
What is the InChIKey of 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is JFIMHOHJXRFAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9-4-5-10(12)11(6-9,7-13-2)8-14-3/h4-5,12H,6-8H2,1-3H3.
What are the key properties of 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol?
6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 198.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(methoxymethyl)-4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 140558584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).