4-ethoxy-4-methylsulfanyloct-1-ene

C11H22OS — CID 134872067

IUPAC4-ethoxy-4-methylsulfanyloct-1-ene
SMILESC=CCC(CCCC)(OCC)SC
InChIInChI=1S/C11H22OS/c1-5-8-10-11(13-4,9-6-2)12-7-3/h6H,2,5,7-10H2,1,3-4H3
InChIKeyBSNRWVVNVPQTIO-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.85
Rot. Bonds8

About 4-ethoxy-4-methylsulfanyloct-1-ene

4-ethoxy-4-methylsulfanyloct-1-ene (PubChem CID 134872067) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 4-ethoxy-4-methylsulfanyloct-1-ene.

Molecular Properties

Compound Name4-ethoxy-4-methylsulfanyloct-1-ene
PubChem CID134872067
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name4-ethoxy-4-methylsulfanyloct-1-ene
SMILESC=CCC(CCCC)(OCC)SC
InChIInChI=1S/C11H22OS/c1-5-8-10-11(13-4,9-6-2)12-7-3/h6H,2,5,7-10H2,1,3-4H3
InChIKeyBSNRWVVNVPQTIO-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methylsulfanyl-2-prop-2-enyloxepane
CID 14681298
2-Methylsulfanyl-2-prop-2-enyloxonane
CID 14681301
2-Methylsulfanyl-2-prop-2-enyl-oxacycloheptadecane
CID 14681314
2-Methylsulfanyl-2-prop-2-enyloxocane
CID 86241841
2-Methylsulfanyl-2-prop-2-enyl-oxacyclooctadecane
CID 134871894
2-(2-Propoxyethyl)-2,3-dihydrothiophene
CID 70647710
2-(Heptoxymethyl)-2,3-dihydrothiophene
CID 91304634
2-(Hexoxymethyl)-2,3-dihydrothiophene
CID 91432347
2-(Pentoxymethyl)-2,3-dihydrothiophene
CID 91517635
(4R,5R)-4-methoxy-5-methylsulfanylnon-1-ene
CID 10262277
(4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene
CID 10420405
(4S,5S)-4-methoxy-5-methylsulfanylnon-1-ene
CID 101641098

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-methylsulfanyloct-1-ene?
The IUPAC name of 4-ethoxy-4-methylsulfanyloct-1-ene (CID 134872067) is 4-ethoxy-4-methylsulfanyloct-1-ene.
What is the SMILES notation for 4-ethoxy-4-methylsulfanyloct-1-ene?
The canonical SMILES for 4-ethoxy-4-methylsulfanyloct-1-ene is C=CCC(CCCC)(OCC)SC.
What is the InChIKey of 4-ethoxy-4-methylsulfanyloct-1-ene?
The InChIKey is BSNRWVVNVPQTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-5-8-10-11(13-4,9-6-2)12-7-3/h6H,2,5,7-10H2,1,3-4H3.
What are the key properties of 4-ethoxy-4-methylsulfanyloct-1-ene?
4-ethoxy-4-methylsulfanyloct-1-ene has a molecular weight of 202.36 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-methylsulfanyloct-1-ene is sourced from PubChem (CID 134872067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).