trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane

C16H28O2Si — CID 59281019

IUPACtrimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane
SMILESC[Si](C)(C)CCCOC1CC2CC1C1C2CC2OC21
InChIInChI=1S/C16H28O2Si/c1-19(2,3)6-4-5-17-13-8-10-7-12(13)15-11(10)9-14-16(15)18-14/h10-16H,4-9H2,1-3H3
InChIKeyOOAKAOCOYUDHHG-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.54
Rot. Bonds5

About trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane

trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane (PubChem CID 59281019) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane
PubChem CID59281019
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nametrimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane
SMILESC[Si](C)(C)CCCOC1CC2CC1C1C2CC2OC21
InChIInChI=1S/C16H28O2Si/c1-19(2,3)6-4-5-17-13-8-10-7-12(13)15-11(10)9-14-16(15)18-14/h10-16H,4-9H2,1-3H3
InChIKeyOOAKAOCOYUDHHG-UHFFFAOYSA-N
XLogP3.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane?
The IUPAC name of trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane (CID 59281019) is trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane.
What is the SMILES notation for trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane?
The canonical SMILES for trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane is C[Si](C)(C)CCCOC1CC2CC1C1C2CC2OC21.
What is the InChIKey of trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane?
The InChIKey is OOAKAOCOYUDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-19(2,3)6-4-5-17-13-8-10-7-12(13)15-11(10)9-14-16(15)18-14/h10-16H,4-9H2,1-3H3.
What are the key properties of trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane?
trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane has a molecular weight of 280.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)propyl]silane is sourced from PubChem (CID 59281019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).