(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene

C8H16OS — CID 12723532

IUPAC(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene
SMILESCCO/C(C)=C\CSCC
InChIInChI=1S/C8H16OS/c1-4-9-8(3)6-7-10-5-2/h6H,4-5,7H2,1-3H3/b8-6-
InChIKeySSMLFYFBQVRVMW-VURMDHGXSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds5

About (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene

(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene (PubChem CID 12723532) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene.

Molecular Properties

Compound Name(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene
PubChem CID12723532
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene
SMILESCCO/C(C)=C\CSCC
InChIInChI=1S/C8H16OS/c1-4-9-8(3)6-7-10-5-2/h6H,4-5,7H2,1-3H3/b8-6-
InChIKeySSMLFYFBQVRVMW-VURMDHGXSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
CID 59893339
2-Ethoxy-3-propan-2-ylsulfanylprop-1-ene
CID 88234605
2-(3-Ethoxyprop-2-enylsulfanyl)-2-methylpropane
CID 139682297
1-Prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane
CID 142050813
(E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene
CID 154968497
1-[2-(2-But-2-enylsulfanylethoxy)ethylsulfanyl]but-2-ene
CID 177730734
1-(2-Prop-2-enylsulfanylethoxy)propane
CID 12507337
(Z)-1-ethylsulfanyl-3-methoxybut-2-ene
CID 12723531
(E)-1-ethylsulfanyl-3-[(2-methylpropan-2-yl)oxy]but-2-ene
CID 12723534
(Z)-3-methoxy-1-methylsulfanylbut-2-ene
CID 12723535
(E)-2-methoxy-1-methylsulfanylbut-2-ene
CID 12723547
(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
CID 20622238

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene?
The IUPAC name of (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene (CID 12723532) is (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene.
What is the SMILES notation for (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene?
The canonical SMILES for (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene is CCO/C(C)=C\CSCC.
What is the InChIKey of (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene?
The InChIKey is SSMLFYFBQVRVMW-VURMDHGXSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-9-8(3)6-7-10-5-2/h6H,4-5,7H2,1-3H3/b8-6-.
What are the key properties of (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene?
(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene has a molecular weight of 160.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-1-ethylsulfanylbut-2-ene is sourced from PubChem (CID 12723532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).