CID 154594581

C13H21O2Si — CID 154594581

IUPAC—
SMILESCCC1(COC2CC3CC2CC3[Si])COC1
InChIInChI=1S/C13H21O2Si/c1-2-13(6-14-7-13)8-15-11-4-10-3-9(11)5-12(10)16/h9-12H,2-8H2,1H3
InChIKeyCGNHKEGEIGOEIB-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.19
Rot. Bonds4

About CID 154594581

CID 154594581 (PubChem CID 154594581) has the molecular formula C13H21O2Si and a molecular weight of 237.39 g/mol.

Molecular Properties

Compound NameCID 154594581
PubChem CID154594581
Molecular FormulaC13H21O2Si
Molecular Weight237.39 g/mol
Exact Mass237.13
IUPAC Name—
SMILESCCC1(COC2CC3CC2CC3[Si])COC1
InChIInChI=1S/C13H21O2Si/c1-2-13(6-14-7-13)8-15-11-4-10-3-9(11)5-12(10)16/h9-12H,2-8H2,1H3
InChIKeyCGNHKEGEIGOEIB-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 154594581?
The IUPAC name of CID 154594581 (CID 154594581) is not available.
What is the SMILES notation for CID 154594581?
The canonical SMILES for CID 154594581 is CCC1(COC2CC3CC2CC3[Si])COC1.
What is the InChIKey of CID 154594581?
The InChIKey is CGNHKEGEIGOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2Si/c1-2-13(6-14-7-13)8-15-11-4-10-3-9(11)5-12(10)16/h9-12H,2-8H2,1H3.
What are the key properties of CID 154594581?
CID 154594581 has a molecular weight of 237.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154594581 is sourced from PubChem (CID 154594581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).