CID 140892702

C17H22O2Si — CID 140892702

IUPAC—
SMILESCC[Si]OCCCOCCc1cccc2ccccc12
InChIInChI=1S/C17H22O2Si/c1-2-20-19-13-6-12-18-14-11-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10H,2,6,11-14H2,1H3
InChIKeyRFFYGXMNLQKZRK-UHFFFAOYSA-N
MW286.45 g/mol
LogP3.86
Rot. Bonds9

About CID 140892702

CID 140892702 (PubChem CID 140892702) has the molecular formula C17H22O2Si and a molecular weight of 286.45 g/mol.

Molecular Properties

Compound NameCID 140892702
PubChem CID140892702
Molecular FormulaC17H22O2Si
Molecular Weight286.45 g/mol
Exact Mass286.14
IUPAC Name—
SMILESCC[Si]OCCCOCCc1cccc2ccccc12
InChIInChI=1S/C17H22O2Si/c1-2-20-19-13-6-12-18-14-11-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10H,2,6,11-14H2,1H3
InChIKeyRFFYGXMNLQKZRK-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 53.86
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'}

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Related Compounds

CID 140892810
CID 140892810
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CID 69073430
1-butylnaphthalene;ethane
CID 142087052
1-(4-methoxybutyl)naphthalene
CID 69278949
1-(hexoxymethyl)naphthalene
CID 18427527
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
azane;1-butylnaphthalene;methane
CID 174691035

Frequently Asked Questions

What is the IUPAC name of CID 140892702?
The IUPAC name of CID 140892702 (CID 140892702) is not available.
What is the SMILES notation for CID 140892702?
The canonical SMILES for CID 140892702 is CC[Si]OCCCOCCc1cccc2ccccc12.
What is the InChIKey of CID 140892702?
The InChIKey is RFFYGXMNLQKZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2Si/c1-2-20-19-13-6-12-18-14-11-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10H,2,6,11-14H2,1H3.
What are the key properties of CID 140892702?
CID 140892702 has a molecular weight of 286.45 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140892702 is sourced from PubChem (CID 140892702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).