2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran

C16H22O — CID 57004453

IUPAC2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran
SMILESCCCC=CC=CC=C(C)C1C=CC(C)=CO1
InChIInChI=1S/C16H22O/c1-4-5-6-7-8-9-10-15(3)16-12-11-14(2)13-17-16/h6-13,16H,4-5H2,1-3H3
InChIKeyIWBKUCZVTGFRQO-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.70
Rot. Bonds5

About 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran

2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran (PubChem CID 57004453) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran.

Molecular Properties

Compound Name2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran
PubChem CID57004453
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran
SMILESCCCC=CC=CC=C(C)C1C=CC(C)=CO1
InChIInChI=1S/C16H22O/c1-4-5-6-7-8-9-10-15(3)16-12-11-14(2)13-17-16/h6-13,16H,4-5H2,1-3H3
InChIKeyIWBKUCZVTGFRQO-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.70
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 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran?
The IUPAC name of 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran (CID 57004453) is 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran.
What is the SMILES notation for 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran?
The canonical SMILES for 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran is CCCC=CC=CC=C(C)C1C=CC(C)=CO1.
What is the InChIKey of 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran?
The InChIKey is IWBKUCZVTGFRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-4-5-6-7-8-9-10-15(3)16-12-11-14(2)13-17-16/h6-13,16H,4-5H2,1-3H3.
What are the key properties of 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran?
2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran has a molecular weight of 230.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran is sourced from PubChem (CID 57004453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).