CID 10639979

C17H24FeOSi+2 — CID 10639979

IUPAC—
SMILESCC(C)(C)[Si](C)(C)[C]1[CH][CH][CH][C]1C=O.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C12H19OSi.C5H5.Fe/c1-12(2,3)14(4,5)11-8-6-7-10(11)9-13;1-2-4-5-3-1;/h6-9H,1-5H3;1-5H;/q;;+2
InChIKeyYRWLBIWETXMHNF-UHFFFAOYSA-N
MW328.31 g/mol
LogP4.03
Rot. Bonds2

About CID 10639979

CID 10639979 (PubChem CID 10639979) has the molecular formula C17H24FeOSi+2 and a molecular weight of 328.31 g/mol.

Molecular Properties

Compound NameCID 10639979
PubChem CID10639979
Molecular FormulaC17H24FeOSi+2
Molecular Weight328.31 g/mol
Exact Mass328.09
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)[C]1[CH][CH][CH][C]1C=O.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C12H19OSi.C5H5.Fe/c1-12(2,3)14(4,5)11-8-6-7-10(11)9-13;1-2-4-5-3-1;/h6-9H,1-5H3;1-5H;/q;;+2
InChIKeyYRWLBIWETXMHNF-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10639979?
The IUPAC name of CID 10639979 (CID 10639979) is not available.
What is the SMILES notation for CID 10639979?
The canonical SMILES for CID 10639979 is CC(C)(C)[Si](C)(C)[C]1[CH][CH][CH][C]1C=O.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10639979?
The InChIKey is YRWLBIWETXMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OSi.C5H5.Fe/c1-12(2,3)14(4,5)11-8-6-7-10(11)9-13;1-2-4-5-3-1;/h6-9H,1-5H3;1-5H;/q;;+2.
What are the key properties of CID 10639979?
CID 10639979 has a molecular weight of 328.31 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10639979 is sourced from PubChem (CID 10639979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).