(2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one

C26H38O5 — CID 164610755

IUPAC(2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one
SMILESCO[C@@H]1OC(=O)C=C1[C@H]1CC=C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](O)O1
InChIInChI=1S/C26H38O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21-15-16-23(30-25(21)28)22-17-24(27)31-26(22)29-5/h9,11,13,15,17,23,25-26,28H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+/t23-,25-,26-/m1/s1
InChIKeySSABFWFUJBLGCZ-JWSGTEBISA-N
MW430.59 g/mol
LogP5.68
Rot. Bonds11

About (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one

(2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one (PubChem CID 164610755) has the molecular formula C26H38O5 and a molecular weight of 430.59 g/mol. Its IUPAC name is (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one
PubChem CID164610755
Molecular FormulaC26H38O5
Molecular Weight430.59 g/mol
Exact Mass430.27
IUPAC Name(2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one
SMILESCO[C@@H]1OC(=O)C=C1[C@H]1CC=C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](O)O1
InChIInChI=1S/C26H38O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21-15-16-23(30-25(21)28)22-17-24(27)31-26(22)29-5/h9,11,13,15,17,23,25-26,28H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+/t23-,25-,26-/m1/s1
InChIKeySSABFWFUJBLGCZ-JWSGTEBISA-N
XLogP5.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one?
The IUPAC name of (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one (CID 164610755) is (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one?
The canonical SMILES for (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one is CO[C@@H]1OC(=O)C=C1[C@H]1CC=C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](O)O1.
What is the InChIKey of (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one?
The InChIKey is SSABFWFUJBLGCZ-JWSGTEBISA-N. The full InChI is InChI=1S/C26H38O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21-15-16-23(30-25(21)28)22-17-24(27)31-26(22)29-5/h9,11,13,15,17,23,25-26,28H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+/t23-,25-,26-/m1/s1.
What are the key properties of (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one?
(2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one has a molecular weight of 430.59 g/mol, XLogP of 5.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one is sourced from PubChem (CID 164610755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).