4-undecan-6-yl-3,6-dihydro-2H-thiopyran

C16H30S — CID 155138731

IUPAC4-undecan-6-yl-3,6-dihydro-2H-thiopyran
SMILESCCCCCC(CCCCC)C1=CCSCC1
InChIInChI=1S/C16H30S/c1-3-5-7-9-15(10-8-6-4-2)16-11-13-17-14-12-16/h11,15H,3-10,12-14H2,1-2H3
InChIKeyAKZYXGJJBPMYMB-UHFFFAOYSA-N
MW254.48 g/mol
LogP5.83
Rot. Bonds9

About 4-undecan-6-yl-3,6-dihydro-2H-thiopyran

4-undecan-6-yl-3,6-dihydro-2H-thiopyran (PubChem CID 155138731) has the molecular formula C16H30S and a molecular weight of 254.48 g/mol. Its IUPAC name is 4-undecan-6-yl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-undecan-6-yl-3,6-dihydro-2H-thiopyran
PubChem CID155138731
Molecular FormulaC16H30S
Molecular Weight254.48 g/mol
Exact Mass254.21
IUPAC Name4-undecan-6-yl-3,6-dihydro-2H-thiopyran
SMILESCCCCCC(CCCCC)C1=CCSCC1
InChIInChI=1S/C16H30S/c1-3-5-7-9-15(10-8-6-4-2)16-11-13-17-14-12-16/h11,15H,3-10,12-14H2,1-2H3
InChIKeyAKZYXGJJBPMYMB-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of 4-undecan-6-yl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-undecan-6-yl-3,6-dihydro-2H-thiopyran (CID 155138731) is 4-undecan-6-yl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-undecan-6-yl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-undecan-6-yl-3,6-dihydro-2H-thiopyran is CCCCCC(CCCCC)C1=CCSCC1.
What is the InChIKey of 4-undecan-6-yl-3,6-dihydro-2H-thiopyran?
The InChIKey is AKZYXGJJBPMYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30S/c1-3-5-7-9-15(10-8-6-4-2)16-11-13-17-14-12-16/h11,15H,3-10,12-14H2,1-2H3.
What are the key properties of 4-undecan-6-yl-3,6-dihydro-2H-thiopyran?
4-undecan-6-yl-3,6-dihydro-2H-thiopyran has a molecular weight of 254.48 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-undecan-6-yl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 155138731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).