(Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene

C9H16S — CID 176958044

IUPAC(Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene
SMILESC=C(C)S/C=C(/C)CCC
InChIInChI=1S/C9H16S/c1-5-6-9(4)7-10-8(2)3/h7H,2,5-6H2,1,3-4H3/b9-7-
InChIKeyXUAUZYNQTOLEBO-CLFYSBASSA-N
MW156.29 g/mol
LogP3.96
Rot. Bonds4

About (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene

(Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene (PubChem CID 176958044) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene.

Molecular Properties

Compound Name(Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene
PubChem CID176958044
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name(Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene
SMILESC=C(C)S/C=C(/C)CCC
InChIInChI=1S/C9H16S/c1-5-6-9(4)7-10-8(2)3/h7H,2,5-6H2,1,3-4H3/b9-7-
InChIKeyXUAUZYNQTOLEBO-CLFYSBASSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene?
The IUPAC name of (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene (CID 176958044) is (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene.
What is the SMILES notation for (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene?
The canonical SMILES for (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene is C=C(C)S/C=C(/C)CCC.
What is the InChIKey of (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene?
The InChIKey is XUAUZYNQTOLEBO-CLFYSBASSA-N. The full InChI is InChI=1S/C9H16S/c1-5-6-9(4)7-10-8(2)3/h7H,2,5-6H2,1,3-4H3/b9-7-.
What are the key properties of (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene?
(Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene has a molecular weight of 156.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-1-prop-1-en-2-ylsulfanylpent-1-ene is sourced from PubChem (CID 176958044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).