(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene

C13H24S — CID 170121670

IUPAC(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene
SMILESC=C(C)S/C(=C\C)CC(C)(C)CCC
InChIInChI=1S/C13H24S/c1-7-9-13(5,6)10-12(8-2)14-11(3)4/h8H,3,7,9-10H2,1-2,4-6H3/b12-8-
InChIKeyGJEBOHQZEOXVGQ-WQLSENKSSA-N
MW212.40 g/mol
LogP5.37
Rot. Bonds6

About (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene

(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene (PubChem CID 170121670) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene.

Molecular Properties

Compound Name(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene
PubChem CID170121670
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene
SMILESC=C(C)S/C(=C\C)CC(C)(C)CCC
InChIInChI=1S/C13H24S/c1-7-9-13(5,6)10-12(8-2)14-11(3)4/h8H,3,7,9-10H2,1-2,4-6H3/b12-8-
InChIKeyGJEBOHQZEOXVGQ-WQLSENKSSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.40
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene?
The IUPAC name of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene (CID 170121670) is (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene.
What is the SMILES notation for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene?
The canonical SMILES for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene is C=C(C)S/C(=C\C)CC(C)(C)CCC.
What is the InChIKey of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene?
The InChIKey is GJEBOHQZEOXVGQ-WQLSENKSSA-N. The full InChI is InChI=1S/C13H24S/c1-7-9-13(5,6)10-12(8-2)14-11(3)4/h8H,3,7,9-10H2,1-2,4-6H3/b12-8-.
What are the key properties of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene?
(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene has a molecular weight of 212.40 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene is sourced from PubChem (CID 170121670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).