3-ethyl-5-methylsulfanylhex-1-ene

C9H18S — CID 123232874

IUPAC3-ethyl-5-methylsulfanylhex-1-ene
SMILESC=CC(CC)CC(C)SC
InChIInChI=1S/C9H18S/c1-5-9(6-2)7-8(3)10-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyASJGWBPWRPBPPB-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.34
Rot. Bonds5

About 3-ethyl-5-methylsulfanylhex-1-ene

3-ethyl-5-methylsulfanylhex-1-ene (PubChem CID 123232874) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 3-ethyl-5-methylsulfanylhex-1-ene.

Molecular Properties

Compound Name3-ethyl-5-methylsulfanylhex-1-ene
PubChem CID123232874
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name3-ethyl-5-methylsulfanylhex-1-ene
SMILESC=CC(CC)CC(C)SC
InChIInChI=1S/C9H18S/c1-5-9(6-2)7-8(3)10-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyASJGWBPWRPBPPB-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butylsulfanyl-2-prop-2-enylpent-4-ene-1-selone
CID 5325632
2-Methyl-5-methylsulfanyl-5-propan-2-ylsulfanyl-4-prop-1-en-2-ylocta-1,7-diene
CID 13610908
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
3-Methylsulfanylhept-1-ene
CID 13297788
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
2-Butyl-4-pentenethiol
CID 129783071
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
2-Butylsulfanyl-5-methyl-3-prop-2-enylselenolane
CID 134989037
(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran
CID 134996658
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylsulfanylhex-1-ene?
The IUPAC name of 3-ethyl-5-methylsulfanylhex-1-ene (CID 123232874) is 3-ethyl-5-methylsulfanylhex-1-ene.
What is the SMILES notation for 3-ethyl-5-methylsulfanylhex-1-ene?
The canonical SMILES for 3-ethyl-5-methylsulfanylhex-1-ene is C=CC(CC)CC(C)SC.
What is the InChIKey of 3-ethyl-5-methylsulfanylhex-1-ene?
The InChIKey is ASJGWBPWRPBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-5-9(6-2)7-8(3)10-4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 3-ethyl-5-methylsulfanylhex-1-ene?
3-ethyl-5-methylsulfanylhex-1-ene has a molecular weight of 158.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylsulfanylhex-1-ene is sourced from PubChem (CID 123232874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).