(2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran

C19H26O2 — CID 89085767

IUPAC(2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran
SMILESC=C1C=C(CC)C[C@@H](/C=C/C(C)=C/C2=C(CC)OCC2)O1
InChIInChI=1S/C19H26O2/c1-5-16-12-15(4)21-18(13-16)8-7-14(3)11-17-9-10-20-19(17)6-2/h7-8,11-12,18H,4-6,9-10,13H2,1-3H3/b8-7+,14-11+/t18-/m1/s1
InChIKeyDPDOXPWQTHSTIG-ODWMORGXSA-N
MW286.42 g/mol
LogP5.21
Rot. Bonds5

About (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran

(2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran (PubChem CID 89085767) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran.

Molecular Properties

Compound Name(2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran
PubChem CID89085767
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran
SMILESC=C1C=C(CC)C[C@@H](/C=C/C(C)=C/C2=C(CC)OCC2)O1
InChIInChI=1S/C19H26O2/c1-5-16-12-15(4)21-18(13-16)8-7-14(3)11-17-9-10-20-19(17)6-2/h7-8,11-12,18H,4-6,9-10,13H2,1-3H3/b8-7+,14-11+/t18-/m1/s1
InChIKeyDPDOXPWQTHSTIG-ODWMORGXSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran?
The IUPAC name of (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran (CID 89085767) is (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran.
What is the SMILES notation for (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran?
The canonical SMILES for (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran is C=C1C=C(CC)C[C@@H](/C=C/C(C)=C/C2=C(CC)OCC2)O1.
What is the InChIKey of (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran?
The InChIKey is DPDOXPWQTHSTIG-ODWMORGXSA-N. The full InChI is InChI=1S/C19H26O2/c1-5-16-12-15(4)21-18(13-16)8-7-14(3)11-17-9-10-20-19(17)6-2/h7-8,11-12,18H,4-6,9-10,13H2,1-3H3/b8-7+,14-11+/t18-/m1/s1.
What are the key properties of (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran?
(2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran has a molecular weight of 286.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-2-[(1E,3E)-4-(5-ethyl-2,3-dihydrofuran-4-yl)-3-methylbuta-1,3-dienyl]-6-methylidene-2,3-dihydropyran is sourced from PubChem (CID 89085767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).