6-chloro-2-propylsulfanylocta-3,5-diene

C11H19ClS — CID 123157638

IUPAC6-chloro-2-propylsulfanylocta-3,5-diene
SMILESCCCSC(C)C=CC=C(Cl)CC
InChIInChI=1S/C11H19ClS/c1-4-9-13-10(3)7-6-8-11(12)5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyVWGJRZZGQOKLRP-UHFFFAOYSA-N
MW218.79 g/mol
LogP4.61
Rot. Bonds6

About 6-chloro-2-propylsulfanylocta-3,5-diene

6-chloro-2-propylsulfanylocta-3,5-diene (PubChem CID 123157638) has the molecular formula C11H19ClS and a molecular weight of 218.79 g/mol. Its IUPAC name is 6-chloro-2-propylsulfanylocta-3,5-diene.

Molecular Properties

Compound Name6-chloro-2-propylsulfanylocta-3,5-diene
PubChem CID123157638
Molecular FormulaC11H19ClS
Molecular Weight218.79 g/mol
Exact Mass218.09
IUPAC Name6-chloro-2-propylsulfanylocta-3,5-diene
SMILESCCCSC(C)C=CC=C(Cl)CC
InChIInChI=1S/C11H19ClS/c1-4-9-13-10(3)7-6-8-11(12)5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyVWGJRZZGQOKLRP-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.79
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,6-Dichloro-6-ethylsulfanylcyclohexa-1,3-diene
CID 19905838
3-Chloro-1-propan-2-ylsulfanylcyclohexa-1,3-diene
CID 89343681
2-Chloroocta-4,6,7-trienyl(trimethyl)-lambda4-sulfane
CID 90723377
2-Chloro-5-(ethylsulfanylmethyl)hepta-2,4-diene
CID 91549283
(Z)-4-[(3Z)-penta-1,3-dien-3-yl]sulfanylpent-2-ene
CID 118518974
2-Chloro-5-propylsulfanylcyclohepta-1,3,5-triene
CID 123287151
6-Propan-2-ylsulfanylhepta-2,4-diene
CID 123806888
6-Penta-2,4-dien-2-ylsulfanylhex-2-ene
CID 123830595
1-Chloro-4-propylsulfanylcyclohexa-1,3-diene
CID 123864545
5-Chloro-2-propylsulfanylocta-3,5-diene
CID 123909443
3-Chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-lambda4-sulfane
CID 126684444
(3Z,5E)-5-propylsulfanylnona-3,5-diene
CID 129267420

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propylsulfanylocta-3,5-diene?
The IUPAC name of 6-chloro-2-propylsulfanylocta-3,5-diene (CID 123157638) is 6-chloro-2-propylsulfanylocta-3,5-diene.
What is the SMILES notation for 6-chloro-2-propylsulfanylocta-3,5-diene?
The canonical SMILES for 6-chloro-2-propylsulfanylocta-3,5-diene is CCCSC(C)C=CC=C(Cl)CC.
What is the InChIKey of 6-chloro-2-propylsulfanylocta-3,5-diene?
The InChIKey is VWGJRZZGQOKLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClS/c1-4-9-13-10(3)7-6-8-11(12)5-2/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 6-chloro-2-propylsulfanylocta-3,5-diene?
6-chloro-2-propylsulfanylocta-3,5-diene has a molecular weight of 218.79 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propylsulfanylocta-3,5-diene is sourced from PubChem (CID 123157638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).