5,5-dimethylcyclohexa-1,3-dien-1-ol

C8H12O — CID 68881117

IUPAC5,5-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1(C)C=CC=C(O)C1
InChIInChI=1S/C8H12O/c1-8(2)5-3-4-7(9)6-8/h3-5,9H,6H2,1-2H3
InChIKeyRSQIFBBADVRZGZ-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.41
Rot. Bonds

About 5,5-dimethylcyclohexa-1,3-dien-1-ol

5,5-dimethylcyclohexa-1,3-dien-1-ol (PubChem CID 68881117) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 5,5-dimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5,5-dimethylcyclohexa-1,3-dien-1-ol
PubChem CID68881117
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name5,5-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1(C)C=CC=C(O)C1
InChIInChI=1S/C8H12O/c1-8(2)5-3-4-7(9)6-8/h3-5,9H,6H2,1-2H3
InChIKeyRSQIFBBADVRZGZ-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5,5-dimethylcyclohexa-1,3-dien-1-ol (CID 68881117) is 5,5-dimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5,5-dimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5,5-dimethylcyclohexa-1,3-dien-1-ol is CC1(C)C=CC=C(O)C1.
What is the InChIKey of 5,5-dimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is RSQIFBBADVRZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-8(2)5-3-4-7(9)6-8/h3-5,9H,6H2,1-2H3.
What are the key properties of 5,5-dimethylcyclohexa-1,3-dien-1-ol?
5,5-dimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 124.18 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 68881117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).