CID 18990661

C13H27O2Si — CID 18990661

IUPAC—
SMILESCCCO[Si](CC1CCCCC1)OCCC
InChIInChI=1S/C13H27O2Si/c1-3-10-14-16(15-11-4-2)12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3
InChIKeyCCNLTSCTJMKYQC-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.91
Rot. Bonds8

About CID 18990661

CID 18990661 (PubChem CID 18990661) has the molecular formula C13H27O2Si and a molecular weight of 243.44 g/mol.

Molecular Properties

Compound NameCID 18990661
PubChem CID18990661
Molecular FormulaC13H27O2Si
Molecular Weight243.44 g/mol
Exact Mass243.18
IUPAC Name—
SMILESCCCO[Si](CC1CCCCC1)OCCC
InChIInChI=1S/C13H27O2Si/c1-3-10-14-16(15-11-4-2)12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3
InChIKeyCCNLTSCTJMKYQC-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18990661?
The IUPAC name of CID 18990661 (CID 18990661) is not available.
What is the SMILES notation for CID 18990661?
The canonical SMILES for CID 18990661 is CCCO[Si](CC1CCCCC1)OCCC.
What is the InChIKey of CID 18990661?
The InChIKey is CCNLTSCTJMKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O2Si/c1-3-10-14-16(15-11-4-2)12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3.
What are the key properties of CID 18990661?
CID 18990661 has a molecular weight of 243.44 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18990661 is sourced from PubChem (CID 18990661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).