(1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one

C21H38O2Si — CID 53360069

IUPAC(1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one
SMILESCC(C)[C@H]1CC[C@@]2(C)C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C2=O
InChIInChI=1S/C21H38O2Si/c1-13(2)17-10-11-21(9)12-18(19(17)20(21)22)23-24(14(3)4,15(5)6)16(7)8/h12-17,19H,10-11H2,1-9H3/t17-,19-,21+/m1/s1
InChIKeyLDWSBRDJOSETMI-QFUCXCTJSA-N
MW350.62 g/mol
LogP6.33
Rot. Bonds6

About (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one

(1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one (PubChem CID 53360069) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one.

Molecular Properties

Compound Name(1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one
PubChem CID53360069
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one
SMILESCC(C)[C@H]1CC[C@@]2(C)C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C2=O
InChIInChI=1S/C21H38O2Si/c1-13(2)17-10-11-21(9)12-18(19(17)20(21)22)23-24(14(3)4,15(5)6)16(7)8/h12-17,19H,10-11H2,1-9H3/t17-,19-,21+/m1/s1
InChIKeyLDWSBRDJOSETMI-QFUCXCTJSA-N
XLogP6.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-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 (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one?
The IUPAC name of (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one (CID 53360069) is (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one.
What is the SMILES notation for (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one?
The canonical SMILES for (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one is CC(C)[C@H]1CC[C@@]2(C)C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C2=O.
What is the InChIKey of (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one?
The InChIKey is LDWSBRDJOSETMI-QFUCXCTJSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-13(2)17-10-11-21(9)12-18(19(17)20(21)22)23-24(14(3)4,15(5)6)16(7)8/h12-17,19H,10-11H2,1-9H3/t17-,19-,21+/m1/s1.
What are the key properties of (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one?
(1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one has a molecular weight of 350.62 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R)-1-methyl-4-propan-2-yl-6-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-8-one is sourced from PubChem (CID 53360069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).