(2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one

C15H22O2 — CID 11974423

IUPAC(2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
SMILESC=CCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1
InChIInChI=1S/C15H22O2/c1-5-7-10-15(9-6-2)11-8-13(16)14(17-15)12(3)4/h5-6,8,11-12,14H,1-2,7,9-10H2,3-4H3/t14-,15+/m1/s1
InChIKeyPDFUBAJCWGJVCN-CABCVRRESA-N
MW234.34 g/mol
LogP3.45
Rot. Bonds6

About (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one

(2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one (PubChem CID 11974423) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one.

Molecular Properties

Compound Name(2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
PubChem CID11974423
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
SMILESC=CCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1
InChIInChI=1S/C15H22O2/c1-5-7-10-15(9-6-2)11-8-13(16)14(17-15)12(3)4/h5-6,8,11-12,14H,1-2,7,9-10H2,3-4H3/t14-,15+/m1/s1
InChIKeyPDFUBAJCWGJVCN-CABCVRRESA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one with MolForge

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Launch Full Analysis

Related Compounds

Kcg 1
CID 126411
6-Methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one
CID 75166531
2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 14802850
Epoxydine A
CID 139583546
(3-Methyl-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl) 2-methylbut-2-enoate
CID 162914739
[(1R,6R)-3-methyl-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (Z)-2-methylbut-2-enoate
CID 162914740
2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 44351568
(2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 15038122
2-methyl-3-(5-oxo-2H-pyran-2-yl)propanal
CID 44351567
2-methyl-3-(6-methyl-5-oxo-2H-pyran-2-yl)propanal
CID 44351602
3-(5-Methoxy-4-oxocyclohex-2-en-1-yl)prop-2-enyl acetate
CID 90725405
6-Acetyl-2,3,6-trimethyl-5,6-dihydropyran
CID 129792870

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The IUPAC name of (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one (CID 11974423) is (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one.
What is the SMILES notation for (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The canonical SMILES for (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one is C=CCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1.
What is the InChIKey of (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The InChIKey is PDFUBAJCWGJVCN-CABCVRRESA-N. The full InChI is InChI=1S/C15H22O2/c1-5-7-10-15(9-6-2)11-8-13(16)14(17-15)12(3)4/h5-6,8,11-12,14H,1-2,7,9-10H2,3-4H3/t14-,15+/m1/s1.
What are the key properties of (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
(2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one is sourced from PubChem (CID 11974423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).