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

C15H26O2Si — CID 157493283

IUPAC7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
SMILESCCC1=C2CO[Si](C(C)C)(C(C)C)CC2CC1=O
InChIInChI=1S/C15H26O2Si/c1-6-13-14-8-17-18(10(2)3,11(4)5)9-12(14)7-15(13)16/h10-12H,6-9H2,1-5H3
InChIKeyADEUYAVRHXYYCX-UHFFFAOYSA-N
MW266.46 g/mol
LogP4.08
Rot. Bonds3

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

7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one (PubChem CID 157493283) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one.

Molecular Properties

Compound Name7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
PubChem CID157493283
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one
SMILESCCC1=C2CO[Si](C(C)C)(C(C)C)CC2CC1=O
InChIInChI=1S/C15H26O2Si/c1-6-13-14-8-17-18(10(2)3,11(4)5)9-12(14)7-15(13)16/h10-12H,6-9H2,1-5H3
InChIKeyADEUYAVRHXYYCX-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.08
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 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The IUPAC name of 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one (CID 157493283) is 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one.
What is the SMILES notation for 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The canonical SMILES for 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one is CCC1=C2CO[Si](C(C)C)(C(C)C)CC2CC1=O.
What is the InChIKey of 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
The InChIKey is ADEUYAVRHXYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-6-13-14-8-17-18(10(2)3,11(4)5)9-12(14)7-15(13)16/h10-12H,6-9H2,1-5H3.
What are the key properties of 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one?
7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one has a molecular weight of 266.46 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,3-di(propan-2-yl)-1,4,4a,5-tetrahydrocyclopenta[d]oxasilin-6-one is sourced from PubChem (CID 157493283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).