CID 87248127

C18H33OSi — CID 87248127

IUPAC—
SMILESC=C[C@H](C[C@H](CC#CO[Si](C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H33OSi/c1-10-15(17(2,3)4)14-16(18(5,6)7)12-11-13-19-20(8)9/h10,15-16H,1,12,14H2,2-9H3/t15-,16+/m1/s1
InChIKeyRTCZJWMPJCYVSI-CVEARBPZSA-N
MW293.55 g/mol
LogP5.51
Rot. Bonds5

About CID 87248127

CID 87248127 (PubChem CID 87248127) has the molecular formula C18H33OSi and a molecular weight of 293.55 g/mol.

Molecular Properties

Compound NameCID 87248127
PubChem CID87248127
Molecular FormulaC18H33OSi
Molecular Weight293.55 g/mol
Exact Mass293.23
IUPAC Name—
SMILESC=C[C@H](C[C@H](CC#CO[Si](C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H33OSi/c1-10-15(17(2,3)4)14-16(18(5,6)7)12-11-13-19-20(8)9/h10,15-16H,1,12,14H2,2-9H3/t15-,16+/m1/s1
InChIKeyRTCZJWMPJCYVSI-CVEARBPZSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.55
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87248127?
The IUPAC name of CID 87248127 (CID 87248127) is not available.
What is the SMILES notation for CID 87248127?
The canonical SMILES for CID 87248127 is C=C[C@H](C[C@H](CC#CO[Si](C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 87248127?
The InChIKey is RTCZJWMPJCYVSI-CVEARBPZSA-N. The full InChI is InChI=1S/C18H33OSi/c1-10-15(17(2,3)4)14-16(18(5,6)7)12-11-13-19-20(8)9/h10,15-16H,1,12,14H2,2-9H3/t15-,16+/m1/s1.
What are the key properties of CID 87248127?
CID 87248127 has a molecular weight of 293.55 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87248127 is sourced from PubChem (CID 87248127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).