1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane

C14H30O2Si — CID 22141466

IUPAC1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane
SMILESCCO[Si]1(OCC)C(CC)CCCC1C(C)C
InChIInChI=1S/C14H30O2Si/c1-6-13-10-9-11-14(12(4)5)17(13,15-7-2)16-8-3/h12-14H,6-11H2,1-5H3
InChIKeyQPDYCPPEKOIKBV-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.49
Rot. Bonds6

About 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane

1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane (PubChem CID 22141466) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane.

Molecular Properties

Compound Name1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane
PubChem CID22141466
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane
SMILESCCO[Si]1(OCC)C(CC)CCCC1C(C)C
InChIInChI=1S/C14H30O2Si/c1-6-13-10-9-11-14(12(4)5)17(13,15-7-2)16-8-3/h12-14H,6-11H2,1-5H3
InChIKeyQPDYCPPEKOIKBV-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.49
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 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane?
The IUPAC name of 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane (CID 22141466) is 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane.
What is the SMILES notation for 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane?
The canonical SMILES for 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane is CCO[Si]1(OCC)C(CC)CCCC1C(C)C.
What is the InChIKey of 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane?
The InChIKey is QPDYCPPEKOIKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-6-13-10-9-11-14(12(4)5)17(13,15-7-2)16-8-3/h12-14H,6-11H2,1-5H3.
What are the key properties of 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane?
1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane has a molecular weight of 258.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2-ethyl-6-propan-2-ylsilinane is sourced from PubChem (CID 22141466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).