4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran

C12H18OS — CID 166546429

IUPAC4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran
SMILESCS/C(=C\C=C(C)C)C1=CCOCC1
InChIInChI=1S/C12H18OS/c1-10(2)4-5-12(14-3)11-6-8-13-9-7-11/h4-6H,7-9H2,1-3H3/b12-5-
InChIKeyQCLGOHLGSGUGIA-XGICHPGQSA-N
MW210.34 g/mol
LogP3.55
Rot. Bonds3

About 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran

4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran (PubChem CID 166546429) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran
PubChem CID166546429
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran
SMILESCS/C(=C\C=C(C)C)C1=CCOCC1
InChIInChI=1S/C12H18OS/c1-10(2)4-5-12(14-3)11-6-8-13-9-7-11/h4-6H,7-9H2,1-3H3/b12-5-
InChIKeyQCLGOHLGSGUGIA-XGICHPGQSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,7a-dihydro-5H-thieno[2,3-c]pyran
CID 21936774
4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran
CID 123542016
(2,4-Dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-lambda4-sulfane
CID 123763747
5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran
CID 130224435
5-(2H-thiopyran-5-yl)-3,6-dihydro-2H-pyran
CID 132239748
ethane;4-methyl-5-methylsulfanyl-3,6-dihydro-2H-pyran
CID 143744948
Ethane;2-(ethoxymethyl)-3-methylcyclohexa-1,3-diene
CID 145536062
4,8-dimethyl-5-methylsulfanyl-3,7-dihydro-2H-1-benzoxepin-7-ide;ethane;vanadium
CID 176919971
2-(1-Ethoxyethenyl)-3-(2-methylsulfanylethoxymethyl)cyclohexa-1,3-diene
CID 177213936
6-Butoxy-6-cyclopenta-1,4-dien-1-ylsulfanyl-1,3-dimethylcyclohexa-1,3-diene
CID 87975937
6-Butoxy-6-cyclopenta-1,4-dien-1-ylsulfanyl-1-methylcyclohexa-1,3-diene
CID 87976332
6-Cyclopenta-1,4-dien-1-ylsulfanyl-1-methyl-6-propoxycyclohexa-1,3-diene
CID 87976416

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran?
The IUPAC name of 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran (CID 166546429) is 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran is CS/C(=C\C=C(C)C)C1=CCOCC1.
What is the InChIKey of 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran?
The InChIKey is QCLGOHLGSGUGIA-XGICHPGQSA-N. The full InChI is InChI=1S/C12H18OS/c1-10(2)4-5-12(14-3)11-6-8-13-9-7-11/h4-6H,7-9H2,1-3H3/b12-5-.
What are the key properties of 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran?
4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran has a molecular weight of 210.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 166546429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).