2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one

C13H20O2 — CID 14477212

IUPAC2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one
SMILESC/C=C/C(C)C1=C(C)C(=O)C(C)C(C)O1
InChIInChI=1S/C13H20O2/c1-6-7-8(2)13-10(4)12(14)9(3)11(5)15-13/h6-9,11H,1-5H3/b7-6+
InChIKeyNFTTYUKCTRGRRN-VOTSOKGWSA-N
MW208.30 g/mol
LogP3.10
Rot. Bonds2

About 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one

2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one (PubChem CID 14477212) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one
PubChem CID14477212
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one
SMILESC/C=C/C(C)C1=C(C)C(=O)C(C)C(C)O1
InChIInChI=1S/C13H20O2/c1-6-7-8(2)13-10(4)12(14)9(3)11(5)15-13/h6-9,11H,1-5H3/b7-6+
InChIKeyNFTTYUKCTRGRRN-VOTSOKGWSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.10
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 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one?
The IUPAC name of 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one (CID 14477212) is 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one?
The canonical SMILES for 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one is C/C=C/C(C)C1=C(C)C(=O)C(C)C(C)O1.
What is the InChIKey of 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one?
The InChIKey is NFTTYUKCTRGRRN-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H20O2/c1-6-7-8(2)13-10(4)12(14)9(3)11(5)15-13/h6-9,11H,1-5H3/b7-6+.
What are the key properties of 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one?
2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one has a molecular weight of 208.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 14477212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).