(Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene

C9H18OS — CID 23261371

IUPAC(Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene
SMILESCSC/C=C(/C)OC(C)(C)C
InChIInChI=1S/C9H18OS/c1-8(6-7-11-5)10-9(2,3)4/h6H,7H2,1-5H3/b8-6-
InChIKeyNFZONNHIOLPGHC-VURMDHGXSA-N
MW174.31 g/mol
LogP3.07
Rot. Bonds3

About (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene

(Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene (PubChem CID 23261371) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene.

Molecular Properties

Compound Name(Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene
PubChem CID23261371
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name(Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene
SMILESCSC/C=C(/C)OC(C)(C)C
InChIInChI=1S/C9H18OS/c1-8(6-7-11-5)10-9(2,3)4/h6H,7H2,1-5H3/b8-6-
InChIKeyNFZONNHIOLPGHC-VURMDHGXSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene?
The IUPAC name of (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene (CID 23261371) is (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene.
What is the SMILES notation for (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene?
The canonical SMILES for (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene is CSC/C=C(/C)OC(C)(C)C.
What is the InChIKey of (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene?
The InChIKey is NFZONNHIOLPGHC-VURMDHGXSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(6-7-11-5)10-9(2,3)4/h6H,7H2,1-5H3/b8-6-.
What are the key properties of (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene?
(Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene has a molecular weight of 174.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2-methylpropan-2-yl)oxy]-1-methylsulfanylbut-2-ene is sourced from PubChem (CID 23261371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).