2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene

C9H14OS — CID 173055920

IUPAC2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene
SMILESCOC1=C(SC)C(C)CC=C1
InChIInChI=1S/C9H14OS/c1-7-5-4-6-8(10-2)9(7)11-3/h4,6-7H,5H2,1-3H3
InChIKeyFOWUOWNXEKAVGB-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.80
Rot. Bonds2

About 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene

2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene (PubChem CID 173055920) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene
PubChem CID173055920
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene
SMILESCOC1=C(SC)C(C)CC=C1
InChIInChI=1S/C9H14OS/c1-7-5-4-6-8(10-2)9(7)11-3/h4,6-7H,5H2,1-3H3
InChIKeyFOWUOWNXEKAVGB-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene 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-Fluoro-2-methoxy-5-methylsulfanylcyclohexa-1,3-diene
CID 163868099
2-[(1S,6R)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol
CID 134886567
2-Methoxy-5-methylcyclohexa-1,3-diene
CID 12596746
(5R)-2-methoxy-5-methylcyclohexa-1,3-diene
CID 12599177
2-Methoxy-6-methylcyclohexa-1,3-diene
CID 12828153
(6S)-2-methoxy-6-methylcyclohexa-1,3-diene
CID 12828155
(5S)-2-methoxy-5-methylcyclohexa-1,3-diene
CID 13418666
2-Methoxy-1-methylsulfanylcyclohexa-1,3-diene
CID 19365556
(4-Methoxycyclohexa-2,4-dien-1-yl)methanethiol
CID 59502089
2-methoxy-5-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 68324211
2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)-2H-pyran
CID 68582770
2,6-ditert-butyl-4-methoxy-2H-thiopyran
CID 70551003

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene (CID 173055920) is 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene is COC1=C(SC)C(C)CC=C1.
What is the InChIKey of 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is FOWUOWNXEKAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-7-5-4-6-8(10-2)9(7)11-3/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene?
2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 170.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-1-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 173055920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).