(E)-4-methyl-1-methylsulfanyloct-3-ene

C10H20S — CID 10986749

IUPAC(E)-4-methyl-1-methylsulfanyloct-3-ene
SMILESCCCC/C(C)=C/CCSC
InChIInChI=1S/C10H20S/c1-4-5-7-10(2)8-6-9-11-3/h8H,4-7,9H2,1-3H3/b10-8+
InChIKeyLACKBULGPDKXOX-CSKARUKUSA-N
MW172.34 g/mol
LogP3.88
Rot. Bonds6

About (E)-4-methyl-1-methylsulfanyloct-3-ene

(E)-4-methyl-1-methylsulfanyloct-3-ene (PubChem CID 10986749) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (E)-4-methyl-1-methylsulfanyloct-3-ene.

Molecular Properties

Compound Name(E)-4-methyl-1-methylsulfanyloct-3-ene
PubChem CID10986749
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(E)-4-methyl-1-methylsulfanyloct-3-ene
SMILESCCCC/C(C)=C/CCSC
InChIInChI=1S/C10H20S/c1-4-5-7-10(2)8-6-9-11-3/h8H,4-7,9H2,1-3H3/b10-8+
InChIKeyLACKBULGPDKXOX-CSKARUKUSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Thiogeraniol
CID 6365572
3,7-Dimethylocta-2,6-diene-1-thiol
CID 61983
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
(Z)-3,7-Dimethylocta-2,6-diene-1-thiol
CID 6435868
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
CID 446838
Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
(2E,6E)-3,7,11-trimethyl-1-propan-2-ylsulfanyldodeca-2,6,10-triene
CID 71498424
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425
[(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate
CID 5477824
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienethial
CID 6481138
(E)-1-methylsulfanylhept-2-ene
CID 13215828

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-methylsulfanyloct-3-ene?
The IUPAC name of (E)-4-methyl-1-methylsulfanyloct-3-ene (CID 10986749) is (E)-4-methyl-1-methylsulfanyloct-3-ene.
What is the SMILES notation for (E)-4-methyl-1-methylsulfanyloct-3-ene?
The canonical SMILES for (E)-4-methyl-1-methylsulfanyloct-3-ene is CCCC/C(C)=C/CCSC.
What is the InChIKey of (E)-4-methyl-1-methylsulfanyloct-3-ene?
The InChIKey is LACKBULGPDKXOX-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20S/c1-4-5-7-10(2)8-6-9-11-3/h8H,4-7,9H2,1-3H3/b10-8+.
What are the key properties of (E)-4-methyl-1-methylsulfanyloct-3-ene?
(E)-4-methyl-1-methylsulfanyloct-3-ene has a molecular weight of 172.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-methylsulfanyloct-3-ene is sourced from PubChem (CID 10986749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).