2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran

C13H20O2 — CID 10846058

IUPAC2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran
SMILESC=CCCC1(C)OC(OC)C(=C)C=C1C
InChIInChI=1S/C13H20O2/c1-6-7-8-13(4)11(3)9-10(2)12(14-5)15-13/h6,9,12H,1-2,7-8H2,3-5H3
InChIKeyBOUCAJWZGCVPIG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds4

About 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran

2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran (PubChem CID 10846058) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran.

Molecular Properties

Compound Name2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran
PubChem CID10846058
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran
SMILESC=CCCC1(C)OC(OC)C(=C)C=C1C
InChIInChI=1S/C13H20O2/c1-6-7-8-13(4)11(3)9-10(2)12(14-5)15-13/h6,9,12H,1-2,7-8H2,3-5H3
InChIKeyBOUCAJWZGCVPIG-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran?
The IUPAC name of 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran (CID 10846058) is 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran.
What is the SMILES notation for 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran?
The canonical SMILES for 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran is C=CCCC1(C)OC(OC)C(=C)C=C1C.
What is the InChIKey of 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran?
The InChIKey is BOUCAJWZGCVPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-6-7-8-13(4)11(3)9-10(2)12(14-5)15-13/h6,9,12H,1-2,7-8H2,3-5H3.
What are the key properties of 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran?
2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran has a molecular weight of 208.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran is sourced from PubChem (CID 10846058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).