CID 54077657

C8H17O2Si — CID 54077657

IUPAC—
SMILESC=CCCOCCO[Si](C)C
InChIInChI=1S/C8H17O2Si/c1-4-5-6-9-7-8-10-11(2)3/h4H,1,5-8H2,2-3H3
InChIKeyMKVUQAHCQKVBDP-UHFFFAOYSA-N
MW173.31 g/mol
LogP1.85
Rot. Bonds7

About CID 54077657

CID 54077657 (PubChem CID 54077657) has the molecular formula C8H17O2Si and a molecular weight of 173.31 g/mol.

Molecular Properties

Compound NameCID 54077657
PubChem CID54077657
Molecular FormulaC8H17O2Si
Molecular Weight173.31 g/mol
Exact Mass173.10
IUPAC Name—
SMILESC=CCCOCCO[Si](C)C
InChIInChI=1S/C8H17O2Si/c1-4-5-6-9-7-8-10-11(2)3/h4H,1,5-8H2,2-3H3
InChIKeyMKVUQAHCQKVBDP-UHFFFAOYSA-N
XLogP1.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 51.85
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 54077657?
The IUPAC name of CID 54077657 (CID 54077657) is not available.
What is the SMILES notation for CID 54077657?
The canonical SMILES for CID 54077657 is C=CCCOCCO[Si](C)C.
What is the InChIKey of CID 54077657?
The InChIKey is MKVUQAHCQKVBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2Si/c1-4-5-6-9-7-8-10-11(2)3/h4H,1,5-8H2,2-3H3.
What are the key properties of CID 54077657?
CID 54077657 has a molecular weight of 173.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54077657 is sourced from PubChem (CID 54077657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).