2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol

C12H20O — CID 121015071

IUPAC2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(C)C(O)C(C)(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-7-8(2)10(4)12(5,6)11(13)9(7)3/h11,13H,1-6H3
InChIKeyAXLHRJQZCVPXPN-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds

About 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol

2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol (PubChem CID 121015071) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol
PubChem CID121015071
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(C)C(O)C(C)(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-7-8(2)10(4)12(5,6)11(13)9(7)3/h11,13H,1-6H3
InChIKeyAXLHRJQZCVPXPN-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5,6,6-hexamethylcyclohexa-2,4-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

1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
CID 160680879
[3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane
CID 175584555
2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine
CID 155197259
5-chloro-1,4,6-trimethylcyclohexa-3,5-diene-1,2,3-triol
CID 70504475
2,3,4,4-tetramethylcyclohex-2-en-1-ol
CID 21015437
3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol
CID 130125540
1,2,3-trimethylcyclohexa-2,5-diene-1,4-diol
CID 19804842
(3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid
CID 131187392
(3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol
CID 130355925
6-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol;titanium(2+);dichloride
CID 87882012
(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane
CID 102232293
(4S)-4-hydroxy-2,3,6,6-tetramethylcyclohex-2-en-1-one
CID 58913857

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol (CID 121015071) is 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol is CC1=C(C)C(O)C(C)(C)C(C)=C1C.
What is the InChIKey of 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol?
The InChIKey is AXLHRJQZCVPXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-7-8(2)10(4)12(5,6)11(13)9(7)3/h11,13H,1-6H3.
What are the key properties of 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol?
2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 121015071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).