1-methoxy-6,6-dimethylcyclohexa-1,3-diene

C9H14O — CID 67149779

IUPAC1-methoxy-6,6-dimethylcyclohexa-1,3-diene
SMILESCOC1=CC=CCC1(C)C
InChIInChI=1S/C9H14O/c1-9(2)7-5-4-6-8(9)10-3/h4-6H,7H2,1-3H3
InChIKeyRAADCIQUIZVJGE-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds1

About 1-methoxy-6,6-dimethylcyclohexa-1,3-diene

1-methoxy-6,6-dimethylcyclohexa-1,3-diene (PubChem CID 67149779) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-methoxy-6,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-6,6-dimethylcyclohexa-1,3-diene
PubChem CID67149779
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-methoxy-6,6-dimethylcyclohexa-1,3-diene
SMILESCOC1=CC=CCC1(C)C
InChIInChI=1S/C9H14O/c1-9(2)7-5-4-6-8(9)10-3/h4-6H,7H2,1-3H3
InChIKeyRAADCIQUIZVJGE-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-6,6-dimethylcyclohexa-1,3-diene (CID 67149779) is 1-methoxy-6,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-6,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-6,6-dimethylcyclohexa-1,3-diene is COC1=CC=CCC1(C)C.
What is the InChIKey of 1-methoxy-6,6-dimethylcyclohexa-1,3-diene?
The InChIKey is RAADCIQUIZVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2)7-5-4-6-8(9)10-3/h4-6H,7H2,1-3H3.
What are the key properties of 1-methoxy-6,6-dimethylcyclohexa-1,3-diene?
1-methoxy-6,6-dimethylcyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 67149779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).