(4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one

C18H28O5Si — CID 89173140

IUPAC(4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one
SMILESCC(/C=C/[C@H](O)CC#C[Si](C)(C)C)=C\[C@@H](O)[C@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C18H28O5Si/c1-13(7-8-14(19)6-5-9-24(2,3)4)10-16(21)17-11-15(20)12-18(22)23-17/h7-8,10,14-17,19-21H,6,11-12H2,1-4H3/b8-7+,13-10+/t14-,15-,16-,17-/m1/s1
InChIKeyVYLDERYFQQYNSM-IOAFOFQJSA-N
MW352.50 g/mol
LogP1.55
Rot. Bonds5

About (4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one

(4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one (PubChem CID 89173140) has the molecular formula C18H28O5Si and a molecular weight of 352.50 g/mol. Its IUPAC name is (4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one
PubChem CID89173140
Molecular FormulaC18H28O5Si
Molecular Weight352.50 g/mol
Exact Mass352.17
IUPAC Name(4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one
SMILESCC(/C=C/[C@H](O)CC#C[Si](C)(C)C)=C\[C@@H](O)[C@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C18H28O5Si/c1-13(7-8-14(19)6-5-9-24(2,3)4)10-16(21)17-11-15(20)12-18(22)23-17/h7-8,10,14-17,19-21H,6,11-12H2,1-4H3/b8-7+,13-10+/t14-,15-,16-,17-/m1/s1
InChIKeyVYLDERYFQQYNSM-IOAFOFQJSA-N
XLogP1.55
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.55
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one (CID 89173140) is (4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one is CC(/C=C/[C@H](O)CC#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,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one?
The InChIKey is VYLDERYFQQYNSM-IOAFOFQJSA-N. The full InChI is InChI=1S/C18H28O5Si/c1-13(7-8-14(19)6-5-9-24(2,3)4)10-16(21)17-11-15(20)12-18(22)23-17/h7-8,10,14-17,19-21H,6,11-12H2,1-4H3/b8-7+,13-10+/t14-,15-,16-,17-/m1/s1.
What are the key properties of (4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one?
(4R,6R)-6-[(1R,2E,4E,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one has a molecular weight of 352.50 g/mol, XLogP of 1.55, 5 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,6R)-1,6-dihydroxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 89173140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).