CID 134901533

C18H35O2Si — CID 134901533

IUPAC—
SMILESC=CC(CCCCCCOC1CCCCO1)[Si](CC)CC
InChIInChI=1S/C18H35O2Si/c1-4-17(21(5-2)6-3)13-9-7-8-11-15-19-18-14-10-12-16-20-18/h4,17-18H,1,5-16H2,2-3H3
InChIKeyZRNWRELAANGVKI-UHFFFAOYSA-N
MW311.56 g/mol
LogP5.57
Rot. Bonds12

About CID 134901533

CID 134901533 (PubChem CID 134901533) has the molecular formula C18H35O2Si and a molecular weight of 311.56 g/mol.

Molecular Properties

Compound NameCID 134901533
PubChem CID134901533
Molecular FormulaC18H35O2Si
Molecular Weight311.56 g/mol
Exact Mass311.24
IUPAC Name—
SMILESC=CC(CCCCCCOC1CCCCO1)[Si](CC)CC
InChIInChI=1S/C18H35O2Si/c1-4-17(21(5-2)6-3)13-9-7-8-11-15-19-18-14-10-12-16-20-18/h4,17-18H,1,5-16H2,2-3H3
InChIKeyZRNWRELAANGVKI-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.56
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134901533?
The IUPAC name of CID 134901533 (CID 134901533) is not available.
What is the SMILES notation for CID 134901533?
The canonical SMILES for CID 134901533 is C=CC(CCCCCCOC1CCCCO1)[Si](CC)CC.
What is the InChIKey of CID 134901533?
The InChIKey is ZRNWRELAANGVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35O2Si/c1-4-17(21(5-2)6-3)13-9-7-8-11-15-19-18-14-10-12-16-20-18/h4,17-18H,1,5-16H2,2-3H3.
What are the key properties of CID 134901533?
CID 134901533 has a molecular weight of 311.56 g/mol, XLogP of 5.57, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134901533 is sourced from PubChem (CID 134901533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).