(2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one

C17H26O2 — CID 11975721

IUPAC(2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
SMILESC=CCCCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1
InChIInChI=1S/C17H26O2/c1-5-7-8-9-12-17(11-6-2)13-10-15(18)16(19-17)14(3)4/h5-6,10,13-14,16H,1-2,7-9,11-12H2,3-4H3/t16-,17+/m1/s1
InChIKeyFVDKYLKJCCHXGU-SJORKVTESA-N
MW262.39 g/mol
LogP4.23
Rot. Bonds8

About (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one

(2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one (PubChem CID 11975721) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one.

Molecular Properties

Compound Name(2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
PubChem CID11975721
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
SMILESC=CCCCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1
InChIInChI=1S/C17H26O2/c1-5-7-8-9-12-17(11-6-2)13-10-15(18)16(19-17)14(3)4/h5-6,10,13-14,16H,1-2,7-9,11-12H2,3-4H3/t16-,17+/m1/s1
InChIKeyFVDKYLKJCCHXGU-SJORKVTESA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The IUPAC name of (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one (CID 11975721) is (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one.
What is the SMILES notation for (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The canonical SMILES for (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one is C=CCCCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1.
What is the InChIKey of (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The InChIKey is FVDKYLKJCCHXGU-SJORKVTESA-N. The full InChI is InChI=1S/C17H26O2/c1-5-7-8-9-12-17(11-6-2)13-10-15(18)16(19-17)14(3)4/h5-6,10,13-14,16H,1-2,7-9,11-12H2,3-4H3/t16-,17+/m1/s1.
What are the key properties of (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
(2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one has a molecular weight of 262.39 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-hex-5-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one is sourced from PubChem (CID 11975721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).