(4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one

C16H28O5Si — CID 89203680

IUPAC(4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one
SMILESCC(/C=C/[C@H](O)C[Si](C)(C)C)=C\[C@@H](O)[C@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C16H28O5Si/c1-11(5-6-12(17)10-22(2,3)4)7-14(19)15-8-13(18)9-16(20)21-15/h5-7,12-15,17-19H,8-10H2,1-4H3/b6-5+,11-7+/t12-,13+,14+,15+/m0/s1
InChIKeyYYMSSVQQPFJVDS-NUKALSOFSA-N
MW328.48 g/mol
LogP1.62
Rot. Bonds6

About (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one

(4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one (PubChem CID 89203680) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one
PubChem CID89203680
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name(4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one
SMILESCC(/C=C/[C@H](O)C[Si](C)(C)C)=C\[C@@H](O)[C@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C16H28O5Si/c1-11(5-6-12(17)10-22(2,3)4)7-14(19)15-8-13(18)9-16(20)21-15/h5-7,12-15,17-19H,8-10H2,1-4H3/b6-5+,11-7+/t12-,13+,14+,15+/m0/s1
InChIKeyYYMSSVQQPFJVDS-NUKALSOFSA-N
XLogP1.62
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-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 (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one (CID 89203680) is (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one is CC(/C=C/[C@H](O)C[Si](C)(C)C)=C\[C@@H](O)[C@H]1C[C@@H](O)CC(=O)O1.
What is the InChIKey of (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one?
The InChIKey is YYMSSVQQPFJVDS-NUKALSOFSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-11(5-6-12(17)10-22(2,3)4)7-14(19)15-8-13(18)9-16(20)21-15/h5-7,12-15,17-19H,8-10H2,1-4H3/b6-5+,11-7+/t12-,13+,14+,15+/m0/s1.
What are the key properties of (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one?
(4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one has a molecular weight of 328.48 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[(1R,2E,4E,6S)-1,6-dihydroxy-3-methyl-7-trimethylsilylhepta-2,4-dienyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 89203680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).