4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene

C10H16S — CID 89053527

IUPAC4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene
SMILESCCSC1=CC=C(C)CC1C
InChIInChI=1S/C10H16S/c1-4-11-10-6-5-8(2)7-9(10)3/h5-6,9H,4,7H2,1-3H3
InChIKeyCOKQDKWSADGZRS-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.61
Rot. Bonds2

About 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene

4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene (PubChem CID 89053527) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene
PubChem CID89053527
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene
SMILESCCSC1=CC=C(C)CC1C
InChIInChI=1S/C10H16S/c1-4-11-10-6-5-8(2)7-9(10)3/h5-6,9H,4,7H2,1-3H3
InChIKeyCOKQDKWSADGZRS-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene (CID 89053527) is 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene is CCSC1=CC=C(C)CC1C.
What is the InChIKey of 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene?
The InChIKey is COKQDKWSADGZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-4-11-10-6-5-8(2)7-9(10)3/h5-6,9H,4,7H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene?
4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene has a molecular weight of 168.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 89053527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).