CID 86630044

C13H29OSi — CID 86630044

IUPAC—
SMILESCC(C)[Si](CCCOC(C)(C)C)C(C)C
InChIInChI=1S/C13H29OSi/c1-11(2)15(12(3)4)10-8-9-14-13(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyDDDQKADGSWRKFH-UHFFFAOYSA-N
MW229.46 g/mol
LogP4.51
Rot. Bonds6

About CID 86630044

CID 86630044 (PubChem CID 86630044) has the molecular formula C13H29OSi and a molecular weight of 229.46 g/mol.

Molecular Properties

Compound NameCID 86630044
PubChem CID86630044
Molecular FormulaC13H29OSi
Molecular Weight229.46 g/mol
Exact Mass229.20
IUPAC Name—
SMILESCC(C)[Si](CCCOC(C)(C)C)C(C)C
InChIInChI=1S/C13H29OSi/c1-11(2)15(12(3)4)10-8-9-14-13(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyDDDQKADGSWRKFH-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 86630044?
The IUPAC name of CID 86630044 (CID 86630044) is not available.
What is the SMILES notation for CID 86630044?
The canonical SMILES for CID 86630044 is CC(C)[Si](CCCOC(C)(C)C)C(C)C.
What is the InChIKey of CID 86630044?
The InChIKey is DDDQKADGSWRKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29OSi/c1-11(2)15(12(3)4)10-8-9-14-13(5,6)7/h11-12H,8-10H2,1-7H3.
What are the key properties of CID 86630044?
CID 86630044 has a molecular weight of 229.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86630044 is sourced from PubChem (CID 86630044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).