CID 176911302

C14H29Cl2OSi — CID 176911302

IUPAC—
SMILESCCCCO[Si](CCCCCCl)CCCCCCl
InChIInChI=1S/C14H29Cl2OSi/c1-2-3-12-17-18(13-8-4-6-10-15)14-9-5-7-11-16/h2-14H2,1H3
InChIKeyMZSQHBUKALPUMG-UHFFFAOYSA-N
MW312.38 g/mol
LogP5.61
Rot. Bonds14

About CID 176911302

CID 176911302 (PubChem CID 176911302) has the molecular formula C14H29Cl2OSi and a molecular weight of 312.38 g/mol.

Molecular Properties

Compound NameCID 176911302
PubChem CID176911302
Molecular FormulaC14H29Cl2OSi
Molecular Weight312.38 g/mol
Exact Mass311.14
IUPAC Name—
SMILESCCCCO[Si](CCCCCCl)CCCCCCl
InChIInChI=1S/C14H29Cl2OSi/c1-2-3-12-17-18(13-8-4-6-10-15)14-9-5-7-11-16/h2-14H2,1H3
InChIKeyMZSQHBUKALPUMG-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-chloropentane;cyclooctane
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Frequently Asked Questions

What is the IUPAC name of CID 176911302?
The IUPAC name of CID 176911302 (CID 176911302) is not available.
What is the SMILES notation for CID 176911302?
The canonical SMILES for CID 176911302 is CCCCO[Si](CCCCCCl)CCCCCCl.
What is the InChIKey of CID 176911302?
The InChIKey is MZSQHBUKALPUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl2OSi/c1-2-3-12-17-18(13-8-4-6-10-15)14-9-5-7-11-16/h2-14H2,1H3.
What are the key properties of CID 176911302?
CID 176911302 has a molecular weight of 312.38 g/mol, XLogP of 5.61, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176911302 is sourced from PubChem (CID 176911302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).