CID 20649852

C14H24O3Si — CID 20649852

IUPAC—
SMILESCO[Si]CCCC(O)COCC1CC2C=CC1C2
InChIInChI=1S/C14H24O3Si/c1-16-18-6-2-3-14(15)10-17-9-13-8-11-4-5-12(13)7-11/h4-5,11-15H,2-3,6-10H2,1H3
InChIKeyMCKYCJGUAUYJSY-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.04
Rot. Bonds9

About CID 20649852

CID 20649852 (PubChem CID 20649852) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol.

Molecular Properties

Compound NameCID 20649852
PubChem CID20649852
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name—
SMILESCO[Si]CCCC(O)COCC1CC2C=CC1C2
InChIInChI=1S/C14H24O3Si/c1-16-18-6-2-3-14(15)10-17-9-13-8-11-4-5-12(13)7-11/h4-5,11-15H,2-3,6-10H2,1H3
InChIKeyMCKYCJGUAUYJSY-UHFFFAOYSA-N
XLogP2.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20649852?
The IUPAC name of CID 20649852 (CID 20649852) is not available.
What is the SMILES notation for CID 20649852?
The canonical SMILES for CID 20649852 is CO[Si]CCCC(O)COCC1CC2C=CC1C2.
What is the InChIKey of CID 20649852?
The InChIKey is MCKYCJGUAUYJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-16-18-6-2-3-14(15)10-17-9-13-8-11-4-5-12(13)7-11/h4-5,11-15H,2-3,6-10H2,1H3.
What are the key properties of CID 20649852?
CID 20649852 has a molecular weight of 268.43 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20649852 is sourced from PubChem (CID 20649852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).