(1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one

C18H34O2Si — CID 10935833

IUPAC(1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one
SMILESCC[Si](CC)(CC)OC1C[C@H]2C(=O)[C@]1(C)CC[C@@H]2C(C)C
InChIInChI=1S/C18H34O2Si/c1-7-21(8-2,9-3)20-16-12-15-14(13(4)5)10-11-18(16,6)17(15)19/h13-16H,7-12H2,1-6H3/t14-,15-,16?,18-/m1/s1
InChIKeyJBMHTRKKYPZPBM-VKAIUELNSA-N
MW310.55 g/mol
LogP5.04
Rot. Bonds6

About (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one

(1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one (PubChem CID 10935833) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one
PubChem CID10935833
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one
SMILESCC[Si](CC)(CC)OC1C[C@H]2C(=O)[C@]1(C)CC[C@@H]2C(C)C
InChIInChI=1S/C18H34O2Si/c1-7-21(8-2,9-3)20-16-12-15-14(13(4)5)10-11-18(16,6)17(15)19/h13-16H,7-12H2,1-6H3/t14-,15-,16?,18-/m1/s1
InChIKeyJBMHTRKKYPZPBM-VKAIUELNSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one?
The IUPAC name of (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one (CID 10935833) is (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one is CC[Si](CC)(CC)OC1C[C@H]2C(=O)[C@]1(C)CC[C@@H]2C(C)C.
What is the InChIKey of (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one?
The InChIKey is JBMHTRKKYPZPBM-VKAIUELNSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-7-21(8-2,9-3)20-16-12-15-14(13(4)5)10-11-18(16,6)17(15)19/h13-16H,7-12H2,1-6H3/t14-,15-,16?,18-/m1/s1.
What are the key properties of (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one?
(1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one has a molecular weight of 310.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-1-methyl-4-propan-2-yl-7-triethylsilyloxybicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 10935833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).