5-(2-methylsulfanylethoxy)pent-1-ene

C8H16OS — CID 104863826

IUPAC5-(2-methylsulfanylethoxy)pent-1-ene
SMILESC=CCCCOCCSC
InChIInChI=1S/C8H16OS/c1-3-4-5-6-9-7-8-10-2/h3H,1,4-8H2,2H3
InChIKeyLLJDUPFJSABYAV-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.33
Rot. Bonds7

About 5-(2-methylsulfanylethoxy)pent-1-ene

5-(2-methylsulfanylethoxy)pent-1-ene (PubChem CID 104863826) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 5-(2-methylsulfanylethoxy)pent-1-ene.

Molecular Properties

Compound Name5-(2-methylsulfanylethoxy)pent-1-ene
PubChem CID104863826
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name5-(2-methylsulfanylethoxy)pent-1-ene
SMILESC=CCCCOCCSC
InChIInChI=1S/C8H16OS/c1-3-4-5-6-9-7-8-10-2/h3H,1,4-8H2,2H3
InChIKeyLLJDUPFJSABYAV-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-Butylsulfanyl-5-methoxypent-1-ene
CID 15262048
Bis(3-thia-4-nonenyl) ether
CID 85611346
2-[[(E)-hex-4-enoxy]methyl]thiirane
CID 134880989
2-(Pent-4-enoxymethyl)thiirane
CID 10057781
2-methoxy-3,4-dihydro-2H-thiopyran
CID 18690613
2-ethoxy-3,4-dihydro-2H-thiopyran
CID 18690614
3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran
CID 19352752
2-(Methoxymethyl)-2,3-dihydrothiophene
CID 54203975
O-butyl pent-4-enethioate
CID 54511925
3-Ethylsulfanyl-4-(2-ethylsulfanylbut-3-enoxy)but-1-ene
CID 57235135
2-(2-Ethoxyethyl)-2,3-dihydrothiophene
CID 67866147
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene
CID 69235067

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethoxy)pent-1-ene?
The IUPAC name of 5-(2-methylsulfanylethoxy)pent-1-ene (CID 104863826) is 5-(2-methylsulfanylethoxy)pent-1-ene.
What is the SMILES notation for 5-(2-methylsulfanylethoxy)pent-1-ene?
The canonical SMILES for 5-(2-methylsulfanylethoxy)pent-1-ene is C=CCCCOCCSC.
What is the InChIKey of 5-(2-methylsulfanylethoxy)pent-1-ene?
The InChIKey is LLJDUPFJSABYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-4-5-6-9-7-8-10-2/h3H,1,4-8H2,2H3.
What are the key properties of 5-(2-methylsulfanylethoxy)pent-1-ene?
5-(2-methylsulfanylethoxy)pent-1-ene has a molecular weight of 160.28 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethoxy)pent-1-ene is sourced from PubChem (CID 104863826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).