3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one

C16H28O2Si — CID 156625572

IUPAC3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
SMILESCC(C)C1=C2CO[Si](C(C)C)(C(C)C)CC2CC1=O
InChIInChI=1S/C16H28O2Si/c1-10(2)16-14-8-18-19(11(3)4,12(5)6)9-13(14)7-15(16)17/h10-13H,7-9H2,1-6H3
InChIKeyUUAOOWVRBQEFDF-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.32
Rot. Bonds3

About 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one

3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one (PubChem CID 156625572) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one.

Molecular Properties

Compound Name3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
PubChem CID156625572
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
SMILESCC(C)C1=C2CO[Si](C(C)C)(C(C)C)CC2CC1=O
InChIInChI=1S/C16H28O2Si/c1-10(2)16-14-8-18-19(11(3)4,12(5)6)9-13(14)7-15(16)17/h10-13H,7-9H2,1-6H3
InChIKeyUUAOOWVRBQEFDF-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.32
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 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The IUPAC name of 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one (CID 156625572) is 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one.
What is the SMILES notation for 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The canonical SMILES for 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one is CC(C)C1=C2CO[Si](C(C)C)(C(C)C)CC2CC1=O.
What is the InChIKey of 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The InChIKey is UUAOOWVRBQEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-10(2)16-14-8-18-19(11(3)4,12(5)6)9-13(14)7-15(16)17/h10-13H,7-9H2,1-6H3.
What are the key properties of 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one has a molecular weight of 280.48 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-tri(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one is sourced from PubChem (CID 156625572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).