methoxymethane;1-methylsulfanylcyclohexa-1,3-diene

C9H16OS — CID 142206690

IUPACmethoxymethane;1-methylsulfanylcyclohexa-1,3-diene
SMILESCOC.CSC1=CC=CCC1
InChIInChI=1S/C7H10S.C2H6O/c1-8-7-5-3-2-4-6-7;1-3-2/h2-3,5H,4,6H2,1H3;1-2H3
InChIKeyFZKRWTRCDQWMPX-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.85
Rot. Bonds1

About methoxymethane;1-methylsulfanylcyclohexa-1,3-diene

methoxymethane;1-methylsulfanylcyclohexa-1,3-diene (PubChem CID 142206690) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is methoxymethane;1-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Namemethoxymethane;1-methylsulfanylcyclohexa-1,3-diene
PubChem CID142206690
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Namemethoxymethane;1-methylsulfanylcyclohexa-1,3-diene
SMILESCOC.CSC1=CC=CCC1
InChIInChI=1S/C7H10S.C2H6O/c1-8-7-5-3-2-4-6-7;1-3-2/h2-3,5H,4,6H2,1H3;1-2H3
InChIKeyFZKRWTRCDQWMPX-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexa-1,3-dien-1-yl(dimethyl)sulfanium
CID 19033852
(3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene
CID 89234195
(4-Methoxycyclohexa-1,3-dien-1-yl)-trimethyl-lambda4-sulfane
CID 123297929
1,2-Bis(2-methoxyethylsulfanyl)cyclohexa-1,3-diene
CID 124025078
(3Z,5Z,9E)-10-methylsulfanyldodeca-1,3,5,9-tetraene
CID 138628384
Ethane;1-methylsulfanylcyclohexa-1,3-diene
CID 143073006
cyclohexa-1,3-dien-1-yl-[(3Z)-hexa-1,3,5-trien-2-yl]-methylsulfanium
CID 143896668
2-(Propan-2-yloxymethylsulfanyl)cyclohexa-1,3-diene
CID 154642895
2-(Ethoxymethylsulfanyl)cyclohexa-1,3-diene
CID 162728396
2-(Methoxymethylsulfanyl)cyclohexa-1,3-diene
CID 176555670

Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of methoxymethane;1-methylsulfanylcyclohexa-1,3-diene (CID 142206690) is methoxymethane;1-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for methoxymethane;1-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for methoxymethane;1-methylsulfanylcyclohexa-1,3-diene is COC.CSC1=CC=CCC1.
What is the InChIKey of methoxymethane;1-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is FZKRWTRCDQWMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S.C2H6O/c1-8-7-5-3-2-4-6-7;1-3-2/h2-3,5H,4,6H2,1H3;1-2H3.
What are the key properties of methoxymethane;1-methylsulfanylcyclohexa-1,3-diene?
methoxymethane;1-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 172.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 142206690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).