1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene

C10H16O — CID 89037755

IUPAC1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene
SMILESCOC1=CC=CC(C)C1(C)C
InChIInChI=1S/C10H16O/c1-8-6-5-7-9(11-4)10(8,2)3/h5-8H,1-4H3
InChIKeyZAFZDINHZYODFL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.75
Rot. Bonds1

About 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene

1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene (PubChem CID 89037755) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene
PubChem CID89037755
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene
SMILESCOC1=CC=CC(C)C1(C)C
InChIInChI=1S/C10H16O/c1-8-6-5-7-9(11-4)10(8,2)3/h5-8H,1-4H3
InChIKeyZAFZDINHZYODFL-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethylanisol
CID 68229763
(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
3-Ethyl-2-fluoro-1-methoxy-5,6-dimethylcyclohexa-1,3-diene
CID 68381402
2-Fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 130204418
6-Fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 139385030
1-Methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
4-Methyl-2-(2-methylpropyl)-4h-pyran
CID 129831003
6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran
CID 134942692
3,3-Dimethyl anethole
CID 175639848
1-Methoxy-6-propan-2-ylcyclohexa-1,3-diene
CID 12599194
1-Methoxy-6-methylcyclohexa-1,3-diene
CID 12678329
2,4-ditert-butyl-6-methyl-4H-pyran
CID 20764461

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene (CID 89037755) is 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene is COC1=CC=CC(C)C1(C)C.
What is the InChIKey of 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene?
The InChIKey is ZAFZDINHZYODFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-6-5-7-9(11-4)10(8,2)3/h5-8H,1-4H3.
What are the key properties of 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene?
1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,6,6-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 89037755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).