CID 6395992

C13H35AlI2OSi4 — CID 6395992

IUPAC—
SMILESC1CCOC1.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.I[Al]I
InChIInChI=1S/C9H27Si4.C4H8O.Al.2HI/c1-11(2,3)10(12(4,5)6)13(7,8)9;1-2-4-5-3-1;;;/h1-9H3;1-4H2;;2*1H/q;;+2;;/p-2
InChIKeyQQTPFWCLOLJWTD-UHFFFAOYSA-L
MW600.56 g/mol
LogP5.92
Rot. Bonds3

About CID 6395992

CID 6395992 (PubChem CID 6395992) has the molecular formula C13H35AlI2OSi4 and a molecular weight of 600.56 g/mol.

Molecular Properties

Compound NameCID 6395992
PubChem CID6395992
Molecular FormulaC13H35AlI2OSi4
Molecular Weight600.56 g/mol
Exact Mass599.97
IUPAC Name—
SMILESC1CCOC1.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.I[Al]I
InChIInChI=1S/C9H27Si4.C4H8O.Al.2HI/c1-11(2,3)10(12(4,5)6)13(7,8)9;1-2-4-5-3-1;;;/h1-9H3;1-4H2;;2*1H/q;;+2;;/p-2
InChIKeyQQTPFWCLOLJWTD-UHFFFAOYSA-L
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.56
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6395992?
The IUPAC name of CID 6395992 (CID 6395992) is not available.
What is the SMILES notation for CID 6395992?
The canonical SMILES for CID 6395992 is C1CCOC1.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.I[Al]I.
What is the InChIKey of CID 6395992?
The InChIKey is QQTPFWCLOLJWTD-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H27Si4.C4H8O.Al.2HI/c1-11(2,3)10(12(4,5)6)13(7,8)9;1-2-4-5-3-1;;;/h1-9H3;1-4H2;;2*1H/q;;+2;;/p-2.
What are the key properties of CID 6395992?
CID 6395992 has a molecular weight of 600.56 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6395992 is sourced from PubChem (CID 6395992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).