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

C11H19ClS — CID 123909443

IUPAC5-chloro-2-propylsulfanylocta-3,5-diene
SMILESCCC=C(Cl)C=CC(C)SCCC
InChIInChI=1S/C11H19ClS/c1-4-6-11(12)8-7-10(3)13-9-5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyPXHWJZFSNOYMDN-UHFFFAOYSA-N
MW218.79 g/mol
LogP4.61
Rot. Bonds6

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

5-chloro-2-propylsulfanylocta-3,5-diene (PubChem CID 123909443) has the molecular formula C11H19ClS and a molecular weight of 218.79 g/mol. Its IUPAC name is 5-chloro-2-propylsulfanylocta-3,5-diene.

Molecular Properties

Compound Name5-chloro-2-propylsulfanylocta-3,5-diene
PubChem CID123909443
Molecular FormulaC11H19ClS
Molecular Weight218.79 g/mol
Exact Mass218.09
IUPAC Name5-chloro-2-propylsulfanylocta-3,5-diene
SMILESCCC=C(Cl)C=CC(C)SCCC
InChIInChI=1S/C11H19ClS/c1-4-6-11(12)8-7-10(3)13-9-5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyPXHWJZFSNOYMDN-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

(E)-1-[(E)-hex-3-enyl]sulfanylhex-3-ene
CID 101950019
2-Butylsulfanylcyclohexa-1,3-diene
CID 85701643
(Z)-1-propylsulfanylpent-2-ene
CID 88289107
(Z)-1-ethylsulfanylhex-3-ene
CID 88290147
(3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene
CID 88673509
(3Z,5Z)-2-(ethylsulfanylmethyl)hepta-1,3,5-triene
CID 89243741
(3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene
CID 89288995
3-Chloro-1-propan-2-ylsulfanylcyclohexa-1,3-diene
CID 89343681
(Z)-1-propylsulfanylhex-3-ene
CID 89382197
2-Chloroocta-4,6,7-trienyl(trimethyl)-lambda4-sulfane
CID 90723377
2-Chloro-5-(ethylsulfanylmethyl)hepta-2,4-diene
CID 91549283
5-Propylsulfanylpent-2-ene
CID 91551582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propylsulfanylocta-3,5-diene?
The IUPAC name of 5-chloro-2-propylsulfanylocta-3,5-diene (CID 123909443) is 5-chloro-2-propylsulfanylocta-3,5-diene.
What is the SMILES notation for 5-chloro-2-propylsulfanylocta-3,5-diene?
The canonical SMILES for 5-chloro-2-propylsulfanylocta-3,5-diene is CCC=C(Cl)C=CC(C)SCCC.
What is the InChIKey of 5-chloro-2-propylsulfanylocta-3,5-diene?
The InChIKey is PXHWJZFSNOYMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClS/c1-4-6-11(12)8-7-10(3)13-9-5-2/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 5-chloro-2-propylsulfanylocta-3,5-diene?
5-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 5-chloro-2-propylsulfanylocta-3,5-diene is sourced from PubChem (CID 123909443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).