2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one

C24H34O4 — CID 10548221

IUPAC2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CCC(C2=CC(=O)OC2O)OC1
InChIInChI=1S/C24H34O4/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-14-22(27-16-20)21-15-23(25)28-24(21)26/h7,9,11,13,15,22,24,26H,5-6,8,10,12,14,16H2,1-4H3/b18-9+,19-11+
InChIKeyIOEQNGHMSGDQQS-ZYCAGONGSA-N
MW386.53 g/mol
LogP5.31
Rot. Bonds9

About 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one

2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one (PubChem CID 10548221) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
PubChem CID10548221
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CCC(C2=CC(=O)OC2O)OC1
InChIInChI=1S/C24H34O4/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-14-22(27-16-20)21-15-23(25)28-24(21)26/h7,9,11,13,15,22,24,26H,5-6,8,10,12,14,16H2,1-4H3/b18-9+,19-11+
InChIKeyIOEQNGHMSGDQQS-ZYCAGONGSA-N
XLogP5.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one (CID 10548221) is 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CCC(C2=CC(=O)OC2O)OC1.
What is the InChIKey of 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one?
The InChIKey is IOEQNGHMSGDQQS-ZYCAGONGSA-N. The full InChI is InChI=1S/C24H34O4/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-14-22(27-16-20)21-15-23(25)28-24(21)26/h7,9,11,13,15,22,24,26H,5-6,8,10,12,14,16H2,1-4H3/b18-9+,19-11+.
What are the key properties of 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one?
2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one has a molecular weight of 386.53 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one is sourced from PubChem (CID 10548221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).