(Z)-6-methyl-6-methylsulfanylhept-2-ene

C9H18S — CID 89107292

IUPAC(Z)-6-methyl-6-methylsulfanylhept-2-ene
SMILESC/C=C\CCC(C)(C)SC
InChIInChI=1S/C9H18S/c1-5-6-7-8-9(2,3)10-4/h5-6H,7-8H2,1-4H3/b6-5-
InChIKeyYIRXFBKOPNZJLB-WAYWQWQTSA-N
MW158.31 g/mol
LogP3.48
Rot. Bonds4

About (Z)-6-methyl-6-methylsulfanylhept-2-ene

(Z)-6-methyl-6-methylsulfanylhept-2-ene (PubChem CID 89107292) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is (Z)-6-methyl-6-methylsulfanylhept-2-ene.

Molecular Properties

Compound Name(Z)-6-methyl-6-methylsulfanylhept-2-ene
PubChem CID89107292
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name(Z)-6-methyl-6-methylsulfanylhept-2-ene
SMILESC/C=C\CCC(C)(C)SC
InChIInChI=1S/C9H18S/c1-5-6-7-8-9(2,3)10-4/h5-6H,7-8H2,1-4H3/b6-5-
InChIKeyYIRXFBKOPNZJLB-WAYWQWQTSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-methyl-6-methylsulfanylhept-2-ene?
The IUPAC name of (Z)-6-methyl-6-methylsulfanylhept-2-ene (CID 89107292) is (Z)-6-methyl-6-methylsulfanylhept-2-ene.
What is the SMILES notation for (Z)-6-methyl-6-methylsulfanylhept-2-ene?
The canonical SMILES for (Z)-6-methyl-6-methylsulfanylhept-2-ene is C/C=C\CCC(C)(C)SC.
What is the InChIKey of (Z)-6-methyl-6-methylsulfanylhept-2-ene?
The InChIKey is YIRXFBKOPNZJLB-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18S/c1-5-6-7-8-9(2,3)10-4/h5-6H,7-8H2,1-4H3/b6-5-.
What are the key properties of (Z)-6-methyl-6-methylsulfanylhept-2-ene?
(Z)-6-methyl-6-methylsulfanylhept-2-ene has a molecular weight of 158.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyl-6-methylsulfanylhept-2-ene is sourced from PubChem (CID 89107292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).