2-[(E)-hex-4-enyl]-1,3-dithiane

C10H18S2 — CID 14783961

IUPAC2-[(E)-hex-4-enyl]-1,3-dithiane
SMILESC/C=C/CCCC1SCCCS1
InChIInChI=1S/C10H18S2/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-3,10H,4-9H2,1H3/b3-2+
InChIKeyXWRZZPBBBJDNFM-NSCUHMNNSA-N
MW202.39 g/mol
LogP3.93
Rot. Bonds4

About 2-[(E)-hex-4-enyl]-1,3-dithiane

2-[(E)-hex-4-enyl]-1,3-dithiane (PubChem CID 14783961) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 2-[(E)-hex-4-enyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[(E)-hex-4-enyl]-1,3-dithiane
PubChem CID14783961
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name2-[(E)-hex-4-enyl]-1,3-dithiane
SMILESC/C=C/CCCC1SCCCS1
InChIInChI=1S/C10H18S2/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-3,10H,4-9H2,1H3/b3-2+
InChIKeyXWRZZPBBBJDNFM-NSCUHMNNSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dithiane, 2-(4-pentenyl)-
CID 4226111
Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
2-(4-Methylpent-3-enyl)-1,3-dithiane
CID 15059664
3-Ethylsulfanylcyclohexene
CID 10975594
(E)-1-methylsulfanyloct-3-ene
CID 14024902
2-Heptyl-3,6-dihydro-2H-thiopyran
CID 14175376
2-n-Propyl-3,6-dihydro-2h-thiapyran
CID 15130795
1-Propenylpropylsulphide
CID 53869957
2-(Hex-5-en-1-yl)-1,3-dithiane
CID 13244445
2-[(E)-pent-1-enyl]-1,3-dithiane
CID 11041517
2-[(Z)-oct-2-enyl]-1,3-dithiane
CID 11117877
2-[(E)-oct-1-enyl]-1,3-dithiane
CID 11128131

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-4-enyl]-1,3-dithiane?
The IUPAC name of 2-[(E)-hex-4-enyl]-1,3-dithiane (CID 14783961) is 2-[(E)-hex-4-enyl]-1,3-dithiane.
What is the SMILES notation for 2-[(E)-hex-4-enyl]-1,3-dithiane?
The canonical SMILES for 2-[(E)-hex-4-enyl]-1,3-dithiane is C/C=C/CCCC1SCCCS1.
What is the InChIKey of 2-[(E)-hex-4-enyl]-1,3-dithiane?
The InChIKey is XWRZZPBBBJDNFM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H18S2/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-3,10H,4-9H2,1H3/b3-2+.
What are the key properties of 2-[(E)-hex-4-enyl]-1,3-dithiane?
2-[(E)-hex-4-enyl]-1,3-dithiane has a molecular weight of 202.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-4-enyl]-1,3-dithiane is sourced from PubChem (CID 14783961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).