CID 59733240

C6H12ClO2Si — CID 59733240

IUPAC—
SMILESOCC(Cl)COCCC[Si]
InChIInChI=1S/C6H12ClO2Si/c7-6(4-8)5-9-2-1-3-10/h6,8H,1-5H2
InChIKeyALMWBZMMUOPRER-UHFFFAOYSA-N
MW179.70 g/mol
LogP0.58
Rot. Bonds6

About CID 59733240

CID 59733240 (PubChem CID 59733240) has the molecular formula C6H12ClO2Si and a molecular weight of 179.70 g/mol.

Molecular Properties

Compound NameCID 59733240
PubChem CID59733240
Molecular FormulaC6H12ClO2Si
Molecular Weight179.70 g/mol
Exact Mass179.03
IUPAC Name—
SMILESOCC(Cl)COCCC[Si]
InChIInChI=1S/C6H12ClO2Si/c7-6(4-8)5-9-2-1-3-10/h6,8H,1-5H2
InChIKeyALMWBZMMUOPRER-UHFFFAOYSA-N
XLogP0.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.70
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 164787457
6-[16-(2,3,4,5,6-pentahydroxyhexoxy)hexadecoxy]hexane-1,2,3,4,5-pentol
CID 550069
2-methyl-5-propoxypentan-1-ol
CID 165024273
2-methyl-3-pentoxypropan-1-ol
CID 56616960
1-(2,3-dichloropropoxy)hexane
CID 14269129
2-methyl-3-undecoxypropan-1-ol
CID 138675065
2-amino-3-(3-hydroxypropoxy)propan-1-ol
CID 130579095
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
3-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027

Frequently Asked Questions

What is the IUPAC name of CID 59733240?
The IUPAC name of CID 59733240 (CID 59733240) is not available.
What is the SMILES notation for CID 59733240?
The canonical SMILES for CID 59733240 is OCC(Cl)COCCC[Si].
What is the InChIKey of CID 59733240?
The InChIKey is ALMWBZMMUOPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClO2Si/c7-6(4-8)5-9-2-1-3-10/h6,8H,1-5H2.
What are the key properties of CID 59733240?
CID 59733240 has a molecular weight of 179.70 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59733240 is sourced from PubChem (CID 59733240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).