CID 140580608

C12H19OSi — CID 140580608

IUPAC—
SMILESCc1cc(CCC[Si](C)C)ccc1O
InChIInChI=1S/C12H19OSi/c1-10-9-11(6-7-12(10)13)5-4-8-14(2)3/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyCJYQOCNKUPJNEN-UHFFFAOYSA-N
MW207.37 g/mol
LogP3.39
Rot. Bonds4

About CID 140580608

CID 140580608 (PubChem CID 140580608) has the molecular formula C12H19OSi and a molecular weight of 207.37 g/mol.

Molecular Properties

Compound NameCID 140580608
PubChem CID140580608
Molecular FormulaC12H19OSi
Molecular Weight207.37 g/mol
Exact Mass207.12
IUPAC Name—
SMILESCc1cc(CCC[Si](C)C)ccc1O
InChIInChI=1S/C12H19OSi/c1-10-9-11(6-7-12(10)13)5-4-8-14(2)3/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyCJYQOCNKUPJNEN-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-butyl-2-methylphenol
CID 10964856
2-methyl-4-octadecylphenol
CID 3022311
CID 174070763
CID 174070763
2-methyl-4-(6-methylheptyl)phenol
CID 154140199
4-(2-methoxyethyl)-2-methylphenol
CID 19977526
4-butyl-2-methylphenol;methyl dihydrogen phosphite
CID 174305201
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
4-[3-(4-hydroxy-3-methylphenyl)propyl]phthalic acid
CID 69492073
2-methyl-4-pent-3-ynylphenol
CID 83923007
4-(2-ethoxyethyl)-2-methylphenol
CID 139712535
methane;2-methyl-4-nonylphenol;prop-2-ene-1-thiol
CID 174442186

Frequently Asked Questions

What is the IUPAC name of CID 140580608?
The IUPAC name of CID 140580608 (CID 140580608) is not available.
What is the SMILES notation for CID 140580608?
The canonical SMILES for CID 140580608 is Cc1cc(CCC[Si](C)C)ccc1O.
What is the InChIKey of CID 140580608?
The InChIKey is CJYQOCNKUPJNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OSi/c1-10-9-11(6-7-12(10)13)5-4-8-14(2)3/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of CID 140580608?
CID 140580608 has a molecular weight of 207.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140580608 is sourced from PubChem (CID 140580608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).