(7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one

C20H36O2Si — CID 11151866

IUPAC(7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one
SMILESCC(C)[Si](O[C@@H]1CC2CC(=O)CC23CCC[C@@H]13)(C(C)C)C(C)C
InChIInChI=1S/C20H36O2Si/c1-13(2)23(14(3)4,15(5)6)22-19-11-16-10-17(21)12-20(16)9-7-8-18(19)20/h13-16,18-19H,7-12H2,1-6H3/t16?,18-,19+,20?/m0/s1
InChIKeyZRCXADCKJZLWAF-UMIMFARRSA-N
MW336.59 g/mol
LogP5.72
Rot. Bonds5

About (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one

(7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one (PubChem CID 11151866) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one.

Molecular Properties

Compound Name(7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one
PubChem CID11151866
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name(7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one
SMILESCC(C)[Si](O[C@@H]1CC2CC(=O)CC23CCC[C@@H]13)(C(C)C)C(C)C
InChIInChI=1S/C20H36O2Si/c1-13(2)23(14(3)4,15(5)6)22-19-11-16-10-17(21)12-20(16)9-7-8-18(19)20/h13-16,18-19H,7-12H2,1-6H3/t16?,18-,19+,20?/m0/s1
InChIKeyZRCXADCKJZLWAF-UMIMFARRSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.72
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 (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one?
The IUPAC name of (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one (CID 11151866) is (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one.
What is the SMILES notation for (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one?
The canonical SMILES for (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one is CC(C)[Si](O[C@@H]1CC2CC(=O)CC23CCC[C@@H]13)(C(C)C)C(C)C.
What is the InChIKey of (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one?
The InChIKey is ZRCXADCKJZLWAF-UMIMFARRSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-13(2)23(14(3)4,15(5)6)22-19-11-16-10-17(21)12-20(16)9-7-8-18(19)20/h13-16,18-19H,7-12H2,1-6H3/t16?,18-,19+,20?/m0/s1.
What are the key properties of (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one?
(7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one has a molecular weight of 336.59 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-7-tri(propan-2-yl)silyloxytricyclo[6.3.0.01,5]undecan-3-one is sourced from PubChem (CID 11151866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).