(1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one

C19H34O2Si — CID 11301725

IUPAC(1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one
SMILESCC(C)[Si](O[C@@H]1C[C@@H]2CC(=O)[C@@]23CCC[C@@H]13)(C(C)C)C(C)C
InChIInChI=1S/C19H34O2Si/c1-12(2)22(13(3)4,14(5)6)21-17-10-15-11-18(20)19(15)9-7-8-16(17)19/h12-17H,7-11H2,1-6H3/t15-,16+,17-,19+/m1/s1
InChIKeyUCZFSDUNPLOSCJ-NTDBWNAOSA-N
MW322.57 g/mol
LogP5.33
Rot. Bonds5

About (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one

(1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one (PubChem CID 11301725) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one.

Molecular Properties

Compound Name(1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one
PubChem CID11301725
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one
SMILESCC(C)[Si](O[C@@H]1C[C@@H]2CC(=O)[C@@]23CCC[C@@H]13)(C(C)C)C(C)C
InChIInChI=1S/C19H34O2Si/c1-12(2)22(13(3)4,14(5)6)21-17-10-15-11-18(20)19(15)9-7-8-16(17)19/h12-17H,7-11H2,1-6H3/t15-,16+,17-,19+/m1/s1
InChIKeyUCZFSDUNPLOSCJ-NTDBWNAOSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.33
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 (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one?
The IUPAC name of (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one (CID 11301725) is (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one.
What is the SMILES notation for (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one?
The canonical SMILES for (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one is CC(C)[Si](O[C@@H]1C[C@@H]2CC(=O)[C@@]23CCC[C@@H]13)(C(C)C)C(C)C.
What is the InChIKey of (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one?
The InChIKey is UCZFSDUNPLOSCJ-NTDBWNAOSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-12(2)22(13(3)4,14(5)6)21-17-10-15-11-18(20)19(15)9-7-8-16(17)19/h12-17H,7-11H2,1-6H3/t15-,16+,17-,19+/m1/s1.
What are the key properties of (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one?
(1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one has a molecular weight of 322.57 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R,7R)-6-tri(propan-2-yl)silyloxytricyclo[5.3.0.01,4]decan-2-one is sourced from PubChem (CID 11301725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).