4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran

C14H22S — CID 89165931

IUPAC4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran
SMILESC/C=C\C=C(/C)C1=CC(CC)C(C)CS1
InChIInChI=1S/C14H22S/c1-5-7-8-11(3)14-9-13(6-2)12(4)10-15-14/h5,7-9,12-13H,6,10H2,1-4H3/b7-5-,11-8+
InChIKeyBDBDGOCYXSZUME-UKJSTWFMSA-N
MW222.40 g/mol
LogP4.80
Rot. Bonds3

About 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran

4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran (PubChem CID 89165931) has the molecular formula C14H22S and a molecular weight of 222.40 g/mol. Its IUPAC name is 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran
PubChem CID89165931
Molecular FormulaC14H22S
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran
SMILESC/C=C\C=C(/C)C1=CC(CC)C(C)CS1
InChIInChI=1S/C14H22S/c1-5-7-8-11(3)14-9-13(6-2)12(4)10-15-14/h5,7-9,12-13H,6,10H2,1-4H3/b7-5-,11-8+
InChIKeyBDBDGOCYXSZUME-UKJSTWFMSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran (CID 89165931) is 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran is C/C=C\C=C(/C)C1=CC(CC)C(C)CS1.
What is the InChIKey of 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran?
The InChIKey is BDBDGOCYXSZUME-UKJSTWFMSA-N. The full InChI is InChI=1S/C14H22S/c1-5-7-8-11(3)14-9-13(6-2)12(4)10-15-14/h5,7-9,12-13H,6,10H2,1-4H3/b7-5-,11-8+.
What are the key properties of 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran?
4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran has a molecular weight of 222.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-methyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 89165931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).