1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol

C12H20O — CID 141326654

IUPAC1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol
SMILESCC1C=CC=CC1(C)CC(C)(C)O
InChIInChI=1S/C12H20O/c1-10-7-5-6-8-12(10,4)9-11(2,3)13/h5-8,10,13H,9H2,1-4H3
InChIKeyVJMMZIAMZQZXIF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.92
Rot. Bonds2

About 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol

1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol (PubChem CID 141326654) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol
PubChem CID141326654
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol
SMILESCC1C=CC=CC1(C)CC(C)(C)O
InChIInChI=1S/C12H20O/c1-10-7-5-6-8-12(10,4)9-11(2,3)13/h5-8,10,13H,9H2,1-4H3
InChIKeyVJMMZIAMZQZXIF-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol (CID 141326654) is 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol is CC1C=CC=CC1(C)CC(C)(C)O.
What is the InChIKey of 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol?
The InChIKey is VJMMZIAMZQZXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-7-5-6-8-12(10,4)9-11(2,3)13/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol?
1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 141326654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).