(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane

C12H26OS — CID 142987486

IUPAC(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane
SMILESCC.CCCCOC(C)/C=C\SCC
InChIInChI=1S/C10H20OS.C2H6/c1-4-6-8-11-10(3)7-9-12-5-2;1-2/h7,9-10H,4-6,8H2,1-3H3;1-2H3/b9-7-;
InChIKeyQIWMSNLMZGDOQJ-VILQZVERSA-N
MW218.41 g/mol
LogP4.48
Rot. Bonds7

About (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane

(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane (PubChem CID 142987486) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane.

Molecular Properties

Compound Name(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane
PubChem CID142987486
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane
SMILESCC.CCCCOC(C)/C=C\SCC
InChIInChI=1S/C10H20OS.C2H6/c1-4-6-8-11-10(3)7-9-12-5-2;1-2/h7,9-10H,4-6,8H2,1-3H3;1-2H3/b9-7-;
InChIKeyQIWMSNLMZGDOQJ-VILQZVERSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-But-3-en-2-yloxythiolane
CID 21410044
1,3-Bis(methylsulfanyl)-2-prop-2-enoxypropane
CID 85767605
2-Ethylsulfanylethoxyethene
CID 87255384
3-Ethoxy-4-(2-ethoxybut-3-enylsulfanyl)but-1-ene
CID 87899821
2-But-3-en-2-yloxyethanethiol
CID 88052545
3-Methoxy-2,3-dihydrothiophene
CID 89093409
3-Butoxy-6-propylsulfanylhex-1-ene
CID 123230129
(2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane
CID 10374572
3-(3-Tert-butylsulfanylprop-2-ynoxy)but-1-ene
CID 11356081
1-Butene, 4-[(2-ethoxypropyl)thio]-
CID 12297803
3-(3-Methylsulfanylprop-2-ynoxy)but-1-ene
CID 12965709
(E)-1-tert-butylsulfanyl-3-methoxybut-1-ene
CID 13183462

Frequently Asked Questions

What is the IUPAC name of (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane?
The IUPAC name of (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane (CID 142987486) is (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane.
What is the SMILES notation for (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane?
The canonical SMILES for (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane is CC.CCCCOC(C)/C=C\SCC.
What is the InChIKey of (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane?
The InChIKey is QIWMSNLMZGDOQJ-VILQZVERSA-N. The full InChI is InChI=1S/C10H20OS.C2H6/c1-4-6-8-11-10(3)7-9-12-5-2;1-2/h7,9-10H,4-6,8H2,1-3H3;1-2H3/b9-7-;.
What are the key properties of (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane?
(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane has a molecular weight of 218.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane is sourced from PubChem (CID 142987486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).