(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde

C33H66O5Si2 — CID 161358234

IUPAC(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde
SMILESC=CC[C@@H](O)C(C)(C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C.CC1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CC=O)O1
InChIInChI=1S/C17H34O2Si.C16H32O3Si/c1-10-12-14(18)17(6,7)15(13-11-2)19-20(8,9)16(3,4)5;1-12-11-14(19-20(7,8)15(2,3)4)16(5,6)13(18-12)9-10-17/h10-11,14-15,18H,1-2,12-13H2,3-9H3;10,12-14H,9,11H2,1-8H3/t14-,15-;12?,13-,14-/m11/s1
InChIKeyVOVCJMPXEWEOET-LNULXPRASA-N
MW599.06 g/mol
LogP9.09
Rot. Bonds12

About (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde

(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde (PubChem CID 161358234) has the molecular formula C33H66O5Si2 and a molecular weight of 599.06 g/mol. Its IUPAC name is (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde
PubChem CID161358234
Molecular FormulaC33H66O5Si2
Molecular Weight599.06 g/mol
Exact Mass598.44
IUPAC Name(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde
SMILESC=CC[C@@H](O)C(C)(C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C.CC1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CC=O)O1
InChIInChI=1S/C17H34O2Si.C16H32O3Si/c1-10-12-14(18)17(6,7)15(13-11-2)19-20(8,9)16(3,4)5;1-12-11-14(19-20(7,8)15(2,3)4)16(5,6)13(18-12)9-10-17/h10-11,14-15,18H,1-2,12-13H2,3-9H3;10,12-14H,9,11H2,1-8H3/t14-,15-;12?,13-,14-/m11/s1
InChIKeyVOVCJMPXEWEOET-LNULXPRASA-N
XLogP9.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.06
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde?
The IUPAC name of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde (CID 161358234) is (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde.
What is the SMILES notation for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde?
The canonical SMILES for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde is C=CC[C@@H](O)C(C)(C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C.CC1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CC=O)O1.
What is the InChIKey of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde?
The InChIKey is VOVCJMPXEWEOET-LNULXPRASA-N. The full InChI is InChI=1S/C17H34O2Si.C16H32O3Si/c1-10-12-14(18)17(6,7)15(13-11-2)19-20(8,9)16(3,4)5;1-12-11-14(19-20(7,8)15(2,3)4)16(5,6)13(18-12)9-10-17/h10-11,14-15,18H,1-2,12-13H2,3-9H3;10,12-14H,9,11H2,1-8H3/t14-,15-;12?,13-,14-/m11/s1.
What are the key properties of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde?
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde has a molecular weight of 599.06 g/mol, XLogP of 9.09, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol;2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 161358234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).