(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde

C25H44O2Si — CID 11269709

IUPAC(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
SMILESCC(C)=CCC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C=C(C=O)CC[C@@H]12
InChIInChI=1S/C25H44O2Si/c1-19(2)11-10-15-25(7)21-13-12-20(18-26)17-24(21,6)16-14-22(25)27-28(8,9)23(3,4)5/h11,17-18,21-22H,10,12-16H2,1-9H3/t21-,22+,24-,25+/m1/s1
InChIKeyCYBWGCSSXDUVCI-OUMDNPPYSA-N
MW404.71 g/mol
LogP7.46
Rot. Bonds6

About (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde

(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde (PubChem CID 11269709) has the molecular formula C25H44O2Si and a molecular weight of 404.71 g/mol. Its IUPAC name is (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
PubChem CID11269709
Molecular FormulaC25H44O2Si
Molecular Weight404.71 g/mol
Exact Mass404.31
IUPAC Name(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
SMILESCC(C)=CCC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C=C(C=O)CC[C@@H]12
InChIInChI=1S/C25H44O2Si/c1-19(2)11-10-15-25(7)21-13-12-20(18-26)17-24(21,6)16-14-22(25)27-28(8,9)23(3,4)5/h11,17-18,21-22H,10,12-16H2,1-9H3/t21-,22+,24-,25+/m1/s1
InChIKeyCYBWGCSSXDUVCI-OUMDNPPYSA-N
XLogP7.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.71
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde 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 (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde?
The IUPAC name of (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde (CID 11269709) is (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde?
The canonical SMILES for (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde is CC(C)=CCC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C=C(C=O)CC[C@@H]12.
What is the InChIKey of (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde?
The InChIKey is CYBWGCSSXDUVCI-OUMDNPPYSA-N. The full InChI is InChI=1S/C25H44O2Si/c1-19(2)11-10-15-25(7)21-13-12-20(18-26)17-24(21,6)16-14-22(25)27-28(8,9)23(3,4)5/h11,17-18,21-22H,10,12-16H2,1-9H3/t21-,22+,24-,25+/m1/s1.
What are the key properties of (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde?
(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde has a molecular weight of 404.71 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 11269709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).