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

C8H16OS — CID 127011172

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

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

5-(2-methoxyethylsulfanyl)pent-1-ene (PubChem CID 127011172) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfanyl)pent-1-ene.

Molecular Properties

Compound Name5-(2-methoxyethylsulfanyl)pent-1-ene
PubChem CID127011172
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name5-(2-methoxyethylsulfanyl)pent-1-ene
SMILESC=CCCCSCCOC
InChIInChI=1S/C8H16OS/c1-3-4-5-7-10-8-6-9-2/h3H,1,4-8H2,2H3
InChIKeyGPACPYGFWMWHQI-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
2-tert-butylsulfanyl-3,4-dihydro-2H-pyran
CID 14112549
2-methoxy-3,4-dihydro-2H-thiopyran
CID 18690613
3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran
CID 19352752
2-(Methoxymethyl)-2,3-dihydrothiophene
CID 54203975
3-Ethylsulfanyl-4-(2-ethylsulfanylbut-3-enoxy)but-1-ene
CID 57235135
2-(2-Propoxyethyl)-2,3-dihydrothiophene
CID 70647710
4-Ethoxy-3-(1-ethoxybut-3-en-2-ylsulfanyl)but-1-ene
CID 87899820
1-Prop-2-enylsulfanyl-1-(1-prop-2-enylsulfanylpropoxy)propane
CID 88441777
2-(Butoxymethyl)-2,3-dihydrothiophene
CID 90694438
2-(Propoxymethyl)-2,3-dihydrothiophene
CID 90980385
2-(Pentoxymethyl)-2,3-dihydrothiophene
CID 91517635

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfanyl)pent-1-ene?
The IUPAC name of 5-(2-methoxyethylsulfanyl)pent-1-ene (CID 127011172) is 5-(2-methoxyethylsulfanyl)pent-1-ene.
What is the SMILES notation for 5-(2-methoxyethylsulfanyl)pent-1-ene?
The canonical SMILES for 5-(2-methoxyethylsulfanyl)pent-1-ene is C=CCCCSCCOC.
What is the InChIKey of 5-(2-methoxyethylsulfanyl)pent-1-ene?
The InChIKey is GPACPYGFWMWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-4-5-7-10-8-6-9-2/h3H,1,4-8H2,2H3.
What are the key properties of 5-(2-methoxyethylsulfanyl)pent-1-ene?
5-(2-methoxyethylsulfanyl)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-methoxyethylsulfanyl)pent-1-ene is sourced from PubChem (CID 127011172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).