(2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one

C16H24O2 — CID 11975683

IUPAC(2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
SMILESC=CCCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1
InChIInChI=1S/C16H24O2/c1-5-7-8-11-16(10-6-2)12-9-14(17)15(18-16)13(3)4/h5-6,9,12-13,15H,1-2,7-8,10-11H2,3-4H3/t15-,16+/m1/s1
InChIKeyOARDMKSRBWRXHN-CVEARBPZSA-N
MW248.37 g/mol
LogP3.84
Rot. Bonds7

About (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one

(2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one (PubChem CID 11975683) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one.

Molecular Properties

Compound Name(2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
PubChem CID11975683
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
SMILESC=CCCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1
InChIInChI=1S/C16H24O2/c1-5-7-8-11-16(10-6-2)12-9-14(17)15(18-16)13(3)4/h5-6,9,12-13,15H,1-2,7-8,10-11H2,3-4H3/t15-,16+/m1/s1
InChIKeyOARDMKSRBWRXHN-CVEARBPZSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.84
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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Related Compounds

Kcg 1
CID 126411
Flexusine B
CID 162901561
2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 14802850
(1S,2Z,6E,10E,14R)-6,10,14-trimethyl-3-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
CID 102393973
(1S,2Z,6Z,10E,14S)-6,10,14-trimethyl-3-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
CID 162901560
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
4-Methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 11819638
3-(5-Methoxy-4-oxocyclohex-2-en-1-yl)prop-2-enyl acetate
CID 90725405
(2R)-3-methyl-2-[(4E,6E)-2-methyl-3-oxoocta-4,6-dienyl]-2H-pyran-5-one
CID 134864916
Bicyclo[3.2.2]nona-3,6-dien-2-one, 1-methoxy-
CID 572732
1-(6-Methyl-2,5-dihydropyran-6-yl)pent-4-en-1-one
CID 10607470

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The IUPAC name of (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one (CID 11975683) is (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one.
What is the SMILES notation for (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The canonical SMILES for (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one is C=CCCC[C@@]1(CC=C)C=CC(=O)[C@@H](C(C)C)O1.
What is the InChIKey of (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
The InChIKey is OARDMKSRBWRXHN-CVEARBPZSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-7-8-11-16(10-6-2)12-9-14(17)15(18-16)13(3)4/h5-6,9,12-13,15H,1-2,7-8,10-11H2,3-4H3/t15-,16+/m1/s1.
What are the key properties of (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one?
(2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one has a molecular weight of 248.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one is sourced from PubChem (CID 11975683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).