(1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde

C17H30O2Si — CID 134858472

IUPAC(1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1=CC[C@@H]2C[C@H]1C[C@@](C)(C=O)C2
InChIInChI=1S/C17H30O2Si/c1-16(2,3)20(5,6)19-15-8-7-13-9-14(15)11-17(4,10-13)12-18/h8,12-14H,7,9-11H2,1-6H3/t13-,14+,17+/m1/s1
InChIKeyVSUKDEPCFPJZAW-KEYYUXOJSA-N
MW294.51 g/mol
LogP4.92
Rot. Bonds3

About (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde

(1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde (PubChem CID 134858472) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde.

Molecular Properties

Compound Name(1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde
PubChem CID134858472
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1=CC[C@@H]2C[C@H]1C[C@@](C)(C=O)C2
InChIInChI=1S/C17H30O2Si/c1-16(2,3)20(5,6)19-15-8-7-13-9-14(15)11-17(4,10-13)12-18/h8,12-14H,7,9-11H2,1-6H3/t13-,14+,17+/m1/s1
InChIKeyVSUKDEPCFPJZAW-KEYYUXOJSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.92
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'}

Analyze (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

(1R,3E,7E,11R)-4,8-dimethyl-13-tri(propan-2-yl)silyloxybicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 11697685
(4aS,8aS)-7-tri(propan-2-yl)silyloxy-2,3,4,5,8,8a-hexahydro-1H-naphthalene-4a-carbaldehyde
CID 101389611
(1S,3E,7E,11R)-13-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylbicyclo[9.4.0]pentadeca-3,7,13-triene-1-carbaldehyde
CID 135086555
(1S,3S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde
CID 10108520
(1S,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-2-methylidene-3,6,7,8-tetrahydro-1H-naphthalene-1-carbaldehyde
CID 16039494
(1S,5S,6R,8aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carbaldehyde
CID 16069497
(1S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one
CID 53495435
(1S,3R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde
CID 101660943
(1R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylbicyclo[3.3.1]non-2-en-9-one
CID 101958817
(1R,3E,7Z,11R)-13-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylbicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 177449128

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde?
The IUPAC name of (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde (CID 134858472) is (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde.
What is the SMILES notation for (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde?
The canonical SMILES for (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde is CC(C)(C)[Si](C)(C)OC1=CC[C@@H]2C[C@H]1C[C@@](C)(C=O)C2.
What is the InChIKey of (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde?
The InChIKey is VSUKDEPCFPJZAW-KEYYUXOJSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-16(2,3)20(5,6)19-15-8-7-13-9-14(15)11-17(4,10-13)12-18/h8,12-14H,7,9-11H2,1-6H3/t13-,14+,17+/m1/s1.
What are the key properties of (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde?
(1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde has a molecular weight of 294.51 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylbicyclo[3.3.1]non-6-ene-3-carbaldehyde is sourced from PubChem (CID 134858472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).