(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene

C10H20S — CID 89270962

IUPAC(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene
SMILESCS/C=C\CC(C)CC(C)C
InChIInChI=1S/C10H20S/c1-9(2)8-10(3)6-5-7-11-4/h5,7,9-10H,6,8H2,1-4H3/b7-5-
InChIKeyIZEPIUSAIYKTOK-ALCCZGGFSA-N
MW172.34 g/mol
LogP3.94
Rot. Bonds5

About (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene

(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene (PubChem CID 89270962) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene.

Molecular Properties

Compound Name(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene
PubChem CID89270962
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene
SMILESCS/C=C\CC(C)CC(C)C
InChIInChI=1S/C10H20S/c1-9(2)8-10(3)6-5-7-11-4/h5,7,9-10H,6,8H2,1-4H3/b7-5-
InChIKeyIZEPIUSAIYKTOK-ALCCZGGFSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene?
The IUPAC name of (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene (CID 89270962) is (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene.
What is the SMILES notation for (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene?
The canonical SMILES for (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene is CS/C=C\CC(C)CC(C)C.
What is the InChIKey of (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene?
The InChIKey is IZEPIUSAIYKTOK-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H20S/c1-9(2)8-10(3)6-5-7-11-4/h5,7,9-10H,6,8H2,1-4H3/b7-5-.
What are the key properties of (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene?
(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene has a molecular weight of 172.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene is sourced from PubChem (CID 89270962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).