(Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene

C9H18OS — CID 13183463

IUPAC(Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene
SMILESCOC(C)/C=C\SC(C)(C)C
InChIInChI=1S/C9H18OS/c1-8(10-5)6-7-11-9(2,3)4/h6-8H,1-5H3/b7-6-
InChIKeyBXCWMSIFKBJQBN-SREVYHEPSA-N
MW174.31 g/mol
LogP3.07
Rot. Bonds3

About (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene

(Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene (PubChem CID 13183463) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene.

Molecular Properties

Compound Name(Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene
PubChem CID13183463
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name(Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene
SMILESCOC(C)/C=C\SC(C)(C)C
InChIInChI=1S/C9H18OS/c1-8(10-5)6-7-11-9(2,3)4/h6-8H,1-5H3/b7-6-
InChIKeyBXCWMSIFKBJQBN-SREVYHEPSA-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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene?
The IUPAC name of (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene (CID 13183463) is (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene.
What is the SMILES notation for (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene?
The canonical SMILES for (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene is COC(C)/C=C\SC(C)(C)C.
What is the InChIKey of (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene?
The InChIKey is BXCWMSIFKBJQBN-SREVYHEPSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(10-5)6-7-11-9(2,3)4/h6-8H,1-5H3/b7-6-.
What are the key properties of (Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene?
(Z)-1-tert-butylsulfanyl-3-methoxybut-1-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)-1-tert-butylsulfanyl-3-methoxybut-1-ene is sourced from PubChem (CID 13183463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).