2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane

C8H16OS — CID 13183453

IUPAC2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane
SMILESCOC/C=C\SC(C)(C)C
InChIInChI=1S/C8H16OS/c1-8(2,3)10-7-5-6-9-4/h5,7H,6H2,1-4H3/b7-5-
InChIKeyJPAKUIOJEWIQSZ-ALCCZGGFSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds3

About 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane

2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane (PubChem CID 13183453) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane.

Molecular Properties

Compound Name2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane
PubChem CID13183453
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane
SMILESCOC/C=C\SC(C)(C)C
InChIInChI=1S/C8H16OS/c1-8(2,3)10-7-5-6-9-4/h5,7H,6H2,1-4H3/b7-5-
InChIKeyJPAKUIOJEWIQSZ-ALCCZGGFSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane?
The IUPAC name of 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane (CID 13183453) is 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane.
What is the SMILES notation for 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane?
The canonical SMILES for 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane is COC/C=C\SC(C)(C)C.
What is the InChIKey of 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane?
The InChIKey is JPAKUIOJEWIQSZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(2,3)10-7-5-6-9-4/h5,7H,6H2,1-4H3/b7-5-.
What are the key properties of 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane?
2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane has a molecular weight of 160.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane is sourced from PubChem (CID 13183453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).