3-[(E)-hex-2-en-3-yl]thiane

C11H20S — CID 144975701

IUPAC3-[(E)-hex-2-en-3-yl]thiane
SMILESC/C=C(\CCC)C1CCCSC1
InChIInChI=1S/C11H20S/c1-3-6-10(4-2)11-7-5-8-12-9-11/h4,11H,3,5-9H2,1-2H3/b10-4+
InChIKeyXRCPIUPDVNALSM-ONNFQVAWSA-N
MW184.35 g/mol
LogP3.88
Rot. Bonds3

About 3-[(E)-hex-2-en-3-yl]thiane

3-[(E)-hex-2-en-3-yl]thiane (PubChem CID 144975701) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 3-[(E)-hex-2-en-3-yl]thiane.

Molecular Properties

Compound Name3-[(E)-hex-2-en-3-yl]thiane
PubChem CID144975701
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name3-[(E)-hex-2-en-3-yl]thiane
SMILESC/C=C(\CCC)C1CCCSC1
InChIInChI=1S/C11H20S/c1-3-6-10(4-2)11-7-5-8-12-9-11/h4,11H,3,5-9H2,1-2H3/b10-4+
InChIKeyXRCPIUPDVNALSM-ONNFQVAWSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(E)-hex-2-en-3-yl]thiane with MolForge

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

Launch Full Analysis

Related Compounds

(2E,6E,10S,11R)-3,7,13-trimethyl-10-propan-2-yl-15-thiabicyclo[9.3.1]pentadeca-1(14),2,6,12-tetraene
CID 71727208
4,7,7-Trimethyl-6-thiabicyclo[3.2.1]oct-3-ene
CID 110922
2-Methyl-2-(4-methylcyclohex-3-en-1-yl)thiirane
CID 20270579
6-Methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
CID 15625911
2-(4-Prop-1-en-2-ylcyclohexen-1-yl)-1,3-dithiane
CID 85928606
4,8,8-Trimethyl-7-thiabicyclo[4.2.0]oct-4-ene
CID 86155634
Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
2-Thiabicyclo[4.4.0]decene
CID 91103360
1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene
CID 375769
1-Methyl-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexene
CID 145543781

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hex-2-en-3-yl]thiane?
The IUPAC name of 3-[(E)-hex-2-en-3-yl]thiane (CID 144975701) is 3-[(E)-hex-2-en-3-yl]thiane.
What is the SMILES notation for 3-[(E)-hex-2-en-3-yl]thiane?
The canonical SMILES for 3-[(E)-hex-2-en-3-yl]thiane is C/C=C(\CCC)C1CCCSC1.
What is the InChIKey of 3-[(E)-hex-2-en-3-yl]thiane?
The InChIKey is XRCPIUPDVNALSM-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H20S/c1-3-6-10(4-2)11-7-5-8-12-9-11/h4,11H,3,5-9H2,1-2H3/b10-4+.
What are the key properties of 3-[(E)-hex-2-en-3-yl]thiane?
3-[(E)-hex-2-en-3-yl]thiane has a molecular weight of 184.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-2-en-3-yl]thiane is sourced from PubChem (CID 144975701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).