CID 18425047

C15H31O3Si — CID 18425047

IUPAC—
SMILESCCCCCCCCCCC(OC)C([Si])(OC)OC
InChIInChI=1S/C15H31O3Si/c1-5-6-7-8-9-10-11-12-13-14(16-2)15(19,17-3)18-4/h14H,5-13H2,1-4H3
InChIKeyZMZLJNROROREPK-UHFFFAOYSA-N
MW287.50 g/mol
LogP3.65
Rot. Bonds13

About CID 18425047

CID 18425047 (PubChem CID 18425047) has the molecular formula C15H31O3Si and a molecular weight of 287.50 g/mol.

Molecular Properties

Compound NameCID 18425047
PubChem CID18425047
Molecular FormulaC15H31O3Si
Molecular Weight287.50 g/mol
Exact Mass287.20
IUPAC Name—
SMILESCCCCCCCCCCC(OC)C([Si])(OC)OC
InChIInChI=1S/C15H31O3Si/c1-5-6-7-8-9-10-11-12-13-14(16-2)15(19,17-3)18-4/h14H,5-13H2,1-4H3
InChIKeyZMZLJNROROREPK-UHFFFAOYSA-N
XLogP3.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-methoxy-2-methylnonadecan-2-yl)silane
CID 173128968
9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
CID 152569510
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
4-ethenyl-4,5-dimethoxytridecane
CID 158070390
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931
(5S)-5-methoxyundecane
CID 118889956
1,1-dimethoxytetradecane
CID 13265409
6-(trimethoxymethyl)tridecane
CID 151806345
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
CID 159305061
1,1,1-trimethoxydecan-2-yl acetate
CID 151973856
2-methyl-4-(trimethoxymethyl)dodecane
CID 150841512
3-methoxy-3-methyltetradecan-4-amine
CID 116757437

Frequently Asked Questions

What is the IUPAC name of CID 18425047?
The IUPAC name of CID 18425047 (CID 18425047) is not available.
What is the SMILES notation for CID 18425047?
The canonical SMILES for CID 18425047 is CCCCCCCCCCC(OC)C([Si])(OC)OC.
What is the InChIKey of CID 18425047?
The InChIKey is ZMZLJNROROREPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O3Si/c1-5-6-7-8-9-10-11-12-13-14(16-2)15(19,17-3)18-4/h14H,5-13H2,1-4H3.
What are the key properties of CID 18425047?
CID 18425047 has a molecular weight of 287.50 g/mol, XLogP of 3.65, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18425047 is sourced from PubChem (CID 18425047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).