CID 59730953

C9H15OSi — CID 59730953

IUPAC—
SMILESC[C@H]1C=CC=C([Si](C)C)[C@H]1O
InChIInChI=1S/C9H15OSi/c1-7-5-4-6-8(9(7)10)11(2)3/h4-7,9-10H,1-3H3/t7-,9-/m0/s1
InChIKeyRBUPUKFTYTTYHX-CBAPKCEASA-N
MW167.30 g/mol
LogP1.77
Rot. Bonds1

About CID 59730953

CID 59730953 (PubChem CID 59730953) has the molecular formula C9H15OSi and a molecular weight of 167.30 g/mol.

Molecular Properties

Compound NameCID 59730953
PubChem CID59730953
Molecular FormulaC9H15OSi
Molecular Weight167.30 g/mol
Exact Mass167.09
IUPAC Name—
SMILESC[C@H]1C=CC=C([Si](C)C)[C@H]1O
InChIInChI=1S/C9H15OSi/c1-7-5-4-6-8(9(7)10)11(2)3/h4-7,9-10H,1-3H3/t7-,9-/m0/s1
InChIKeyRBUPUKFTYTTYHX-CBAPKCEASA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 CID 59730953?
The IUPAC name of CID 59730953 (CID 59730953) is not available.
What is the SMILES notation for CID 59730953?
The canonical SMILES for CID 59730953 is C[C@H]1C=CC=C([Si](C)C)[C@H]1O.
What is the InChIKey of CID 59730953?
The InChIKey is RBUPUKFTYTTYHX-CBAPKCEASA-N. The full InChI is InChI=1S/C9H15OSi/c1-7-5-4-6-8(9(7)10)11(2)3/h4-7,9-10H,1-3H3/t7-,9-/m0/s1.
What are the key properties of CID 59730953?
CID 59730953 has a molecular weight of 167.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59730953 is sourced from PubChem (CID 59730953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).