1-methoxy-2-methylsulfanylcyclohexene

C8H14OS — CID 163863785

IUPAC1-methoxy-2-methylsulfanylcyclohexene
SMILESCOC1=C(SC)CCCC1
InChIInChI=1S/C8H14OS/c1-9-7-5-3-4-6-8(7)10-2/h3-6H2,1-2H3
InChIKeyPEVMAVATHSGOPI-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.78
Rot. Bonds2

About 1-methoxy-2-methylsulfanylcyclohexene

1-methoxy-2-methylsulfanylcyclohexene (PubChem CID 163863785) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-methoxy-2-methylsulfanylcyclohexene.

Molecular Properties

Compound Name1-methoxy-2-methylsulfanylcyclohexene
PubChem CID163863785
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-methoxy-2-methylsulfanylcyclohexene
SMILESCOC1=C(SC)CCCC1
InChIInChI=1S/C8H14OS/c1-9-7-5-3-4-6-8(7)10-2/h3-6H2,1-2H3
InChIKeyPEVMAVATHSGOPI-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-2-methylsulfanylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylsulfanylcyclohexene?
The IUPAC name of 1-methoxy-2-methylsulfanylcyclohexene (CID 163863785) is 1-methoxy-2-methylsulfanylcyclohexene.
What is the SMILES notation for 1-methoxy-2-methylsulfanylcyclohexene?
The canonical SMILES for 1-methoxy-2-methylsulfanylcyclohexene is COC1=C(SC)CCCC1.
What is the InChIKey of 1-methoxy-2-methylsulfanylcyclohexene?
The InChIKey is PEVMAVATHSGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-9-7-5-3-4-6-8(7)10-2/h3-6H2,1-2H3.
What are the key properties of 1-methoxy-2-methylsulfanylcyclohexene?
1-methoxy-2-methylsulfanylcyclohexene has a molecular weight of 158.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylsulfanylcyclohexene is sourced from PubChem (CID 163863785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).