1-tert-butylsulfanyl-3-methoxyhex-1-ene

C11H22OS — CID 13197502

IUPAC1-tert-butylsulfanyl-3-methoxyhex-1-ene
SMILESCCCC(C=CSC(C)(C)C)OC
InChIInChI=1S/C11H22OS/c1-6-7-10(12-5)8-9-13-11(2,3)4/h8-10H,6-7H2,1-5H3
InChIKeyGUBSIHRSIGEHRB-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.85
Rot. Bonds5

About 1-tert-butylsulfanyl-3-methoxyhex-1-ene

1-tert-butylsulfanyl-3-methoxyhex-1-ene (PubChem CID 13197502) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-methoxyhex-1-ene.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-methoxyhex-1-ene
PubChem CID13197502
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name1-tert-butylsulfanyl-3-methoxyhex-1-ene
SMILESCCCC(C=CSC(C)(C)C)OC
InChIInChI=1S/C11H22OS/c1-6-7-10(12-5)8-9-13-11(2,3)4/h8-10H,6-7H2,1-5H3
InChIKeyGUBSIHRSIGEHRB-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

3-Butoxy-6-propylsulfanylhex-1-ene
CID 123230129
5-Methyl-3-(5-methyl-5-methylsulfanylhex-1-en-3-yl)oxy-5-methylsulfanylhex-1-ene
CID 140029813
(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane
CID 142987486
(E)-1-tert-butylsulfanyl-3-methoxybut-1-ene
CID 13183462
(Z)-1-tert-butylsulfanyl-3-methoxybut-1-ene
CID 13183463
(E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene
CID 13183464
(E)-1-tert-butylsulfanyl-3-methoxyoct-1-ene
CID 13183466
(Z)-1-tert-butylsulfanyl-3-methoxyoct-1-ene
CID 13183467
1-Tert-butylsulfanyl-3-methoxybut-1-ene
CID 13197500
1-Tert-butylsulfanyl-3-methoxyoct-1-ene
CID 13197504
(E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene
CID 13197527
1-(tert-Butylsulfanyl)-3-methoxy-2-methylbut-1-ene
CID 71320562

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-methoxyhex-1-ene?
The IUPAC name of 1-tert-butylsulfanyl-3-methoxyhex-1-ene (CID 13197502) is 1-tert-butylsulfanyl-3-methoxyhex-1-ene.
What is the SMILES notation for 1-tert-butylsulfanyl-3-methoxyhex-1-ene?
The canonical SMILES for 1-tert-butylsulfanyl-3-methoxyhex-1-ene is CCCC(C=CSC(C)(C)C)OC.
What is the InChIKey of 1-tert-butylsulfanyl-3-methoxyhex-1-ene?
The InChIKey is GUBSIHRSIGEHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-6-7-10(12-5)8-9-13-11(2,3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-3-methoxyhex-1-ene?
1-tert-butylsulfanyl-3-methoxyhex-1-ene has a molecular weight of 202.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-methoxyhex-1-ene is sourced from PubChem (CID 13197502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).