CID 13112965

C9H14O2Si — CID 13112965

IUPAC—
SMILESCCCCC#C[Si]CC(=O)OC
InChIInChI=1S/C9H14O2Si/c1-3-4-5-6-7-12-8-9(10)11-2/h3-5,8H2,1-2H3
InChIKeyGPXDHDWBZQJASU-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.43
Rot. Bonds4

About CID 13112965

CID 13112965 (PubChem CID 13112965) has the molecular formula C9H14O2Si and a molecular weight of 182.29 g/mol.

Molecular Properties

Compound NameCID 13112965
PubChem CID13112965
Molecular FormulaC9H14O2Si
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name—
SMILESCCCCC#C[Si]CC(=O)OC
InChIInChI=1S/C9H14O2Si/c1-3-4-5-6-7-12-8-9(10)11-2/h3-5,8H2,1-2H3
InChIKeyGPXDHDWBZQJASU-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.43
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-octadec-11-en-9,13-diynoate
CID 14921637
methyl octadec-9-ynoate
CID 534587
non-4-yn-3-one
CID 10887980
methyl 8-oxooctadec-9-ynoate
CID 71332554
methyl octadec-10-en-5-ynoate
CID 71365129
methyl 11-hydroxyoctadeca-9,12-diynoate
CID 10913809
methyl (Z)-octadec-9-en-11-ynoate
CID 59455308
ethyl undec-5-ynoate
CID 135056494
oct-3-ynyl pentanoate
CID 175496394
methyl heptadecanoate
CID 15609
hydrazine;methyl pentanoate
CID 88709772
methyl tetradecanoate
CID 89052795

Frequently Asked Questions

What is the IUPAC name of CID 13112965?
The IUPAC name of CID 13112965 (CID 13112965) is not available.
What is the SMILES notation for CID 13112965?
The canonical SMILES for CID 13112965 is CCCCC#C[Si]CC(=O)OC.
What is the InChIKey of CID 13112965?
The InChIKey is GPXDHDWBZQJASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2Si/c1-3-4-5-6-7-12-8-9(10)11-2/h3-5,8H2,1-2H3.
What are the key properties of CID 13112965?
CID 13112965 has a molecular weight of 182.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13112965 is sourced from PubChem (CID 13112965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).