4-propylsulfanylocta-2,3-dien-2-ylbenzene

C17H24S — CID 142703752

IUPAC4-propylsulfanylocta-2,3-dien-2-ylbenzene
SMILESCCCCC(=C=C(C)c1ccccc1)SCCC
InChIInChI=1S/C17H24S/c1-4-6-12-17(18-13-5-2)14-15(3)16-10-8-7-9-11-16/h7-11H,4-6,12-13H2,1-3H3
InChIKeyJGOHBJBXRAOJDO-UHFFFAOYSA-N
MW260.45 g/mol
LogP5.91
Rot. Bonds7

About 4-propylsulfanylocta-2,3-dien-2-ylbenzene

4-propylsulfanylocta-2,3-dien-2-ylbenzene (PubChem CID 142703752) has the molecular formula C17H24S and a molecular weight of 260.45 g/mol. Its IUPAC name is 4-propylsulfanylocta-2,3-dien-2-ylbenzene.

Molecular Properties

Compound Name4-propylsulfanylocta-2,3-dien-2-ylbenzene
PubChem CID142703752
Molecular FormulaC17H24S
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name4-propylsulfanylocta-2,3-dien-2-ylbenzene
SMILESCCCCC(=C=C(C)c1ccccc1)SCCC
InChIInChI=1S/C17H24S/c1-4-6-12-17(18-13-5-2)14-15(3)16-10-8-7-9-11-16/h7-11H,4-6,12-13H2,1-3H3
InChIKeyJGOHBJBXRAOJDO-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylpenta-2,3-dien-2-ylbenzene
CID 10725633
N-hexyl-2-phenylprop-1-en-1-imine
CID 87132233
[(Z)-4-methyl-1-phenyloct-3-en-1-yn-3-yl]benzene
CID 102375518
[(E)-hept-2-en-3-yl]benzene
CID 14568345
butyl benzenecarbodithioate
CID 578502
ethane;1-phenylpentan-1-one
CID 143728184
2-(1-phenylpentylidene)propanedinitrile
CID 3597720
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
2-[2-(4-bromophenyl)prop-1-enylidene]hexanoic acid
CID 176521135
2-[2-(4-chlorophenyl)prop-1-enylidene]hexanoic acid
CID 176521132
hexane;1-phenylethanone
CID 160797049
S-decyl benzenecarbothioate
CID 11616108

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfanylocta-2,3-dien-2-ylbenzene?
The IUPAC name of 4-propylsulfanylocta-2,3-dien-2-ylbenzene (CID 142703752) is 4-propylsulfanylocta-2,3-dien-2-ylbenzene.
What is the SMILES notation for 4-propylsulfanylocta-2,3-dien-2-ylbenzene?
The canonical SMILES for 4-propylsulfanylocta-2,3-dien-2-ylbenzene is CCCCC(=C=C(C)c1ccccc1)SCCC.
What is the InChIKey of 4-propylsulfanylocta-2,3-dien-2-ylbenzene?
The InChIKey is JGOHBJBXRAOJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24S/c1-4-6-12-17(18-13-5-2)14-15(3)16-10-8-7-9-11-16/h7-11H,4-6,12-13H2,1-3H3.
What are the key properties of 4-propylsulfanylocta-2,3-dien-2-ylbenzene?
4-propylsulfanylocta-2,3-dien-2-ylbenzene has a molecular weight of 260.45 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfanylocta-2,3-dien-2-ylbenzene is sourced from PubChem (CID 142703752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).