6-tetradecyl-2H-pyran

C19H34O — CID 54437422

IUPAC6-tetradecyl-2H-pyran
SMILESCCCCCCCCCCCCCCC1=CC=CCO1
InChIInChI=1S/C19H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h14-15,17H,2-13,16,18H2,1H3
InChIKeyWLRZCILYZDIXCN-UHFFFAOYSA-N
MW278.48 g/mol
LogP6.55
Rot. Bonds13

About 6-tetradecyl-2H-pyran

6-tetradecyl-2H-pyran (PubChem CID 54437422) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 6-tetradecyl-2H-pyran.

Molecular Properties

Compound Name6-tetradecyl-2H-pyran
PubChem CID54437422
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name6-tetradecyl-2H-pyran
SMILESCCCCCCCCCCCCCCC1=CC=CCO1
InChIInChI=1S/C19H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h14-15,17H,2-13,16,18H2,1H3
InChIKeyWLRZCILYZDIXCN-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tetradecyl-2H-pyran?
The IUPAC name of 6-tetradecyl-2H-pyran (CID 54437422) is 6-tetradecyl-2H-pyran.
What is the SMILES notation for 6-tetradecyl-2H-pyran?
The canonical SMILES for 6-tetradecyl-2H-pyran is CCCCCCCCCCCCCCC1=CC=CCO1.
What is the InChIKey of 6-tetradecyl-2H-pyran?
The InChIKey is WLRZCILYZDIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20-19/h14-15,17H,2-13,16,18H2,1H3.
What are the key properties of 6-tetradecyl-2H-pyran?
6-tetradecyl-2H-pyran has a molecular weight of 278.48 g/mol, XLogP of 6.55, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tetradecyl-2H-pyran is sourced from PubChem (CID 54437422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).