2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene

C10H18S — CID 166851183

IUPAC2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene
SMILESC=C(CC(C)C)S/C=C\CC
InChIInChI=1S/C10H18S/c1-5-6-7-11-10(4)8-9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6-
InChIKeyJJUZADOCYKTQGH-SREVYHEPSA-N
MW170.32 g/mol
LogP4.20
Rot. Bonds5

About 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene

2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene (PubChem CID 166851183) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene
PubChem CID166851183
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene
SMILESC=C(CC(C)C)S/C=C\CC
InChIInChI=1S/C10H18S/c1-5-6-7-11-10(4)8-9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6-
InChIKeyJJUZADOCYKTQGH-SREVYHEPSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene?
The IUPAC name of 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene (CID 166851183) is 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene.
What is the SMILES notation for 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene?
The canonical SMILES for 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene is C=C(CC(C)C)S/C=C\CC.
What is the InChIKey of 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene?
The InChIKey is JJUZADOCYKTQGH-SREVYHEPSA-N. The full InChI is InChI=1S/C10H18S/c1-5-6-7-11-10(4)8-9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6-.
What are the key properties of 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene?
2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene has a molecular weight of 170.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]sulfanyl-4-methylpent-1-ene is sourced from PubChem (CID 166851183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).