CID 167440331

C27H57O3Si — CID 167440331

IUPAC—
SMILESCC(C)CC(CC(C)C)O[Si](OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C
InChIInChI=1S/C27H57O3Si/c1-19(2)13-25(14-20(3)4)28-31(29-26(15-21(5)6)16-22(7)8)30-27(17-23(9)10)18-24(11)12/h19-27H,13-18H2,1-12H3
InChIKeyVWESDWZIMSSZGQ-UHFFFAOYSA-N
MW457.84 g/mol
LogP8.40
Rot. Bonds18

About CID 167440331

CID 167440331 (PubChem CID 167440331) has the molecular formula C27H57O3Si and a molecular weight of 457.84 g/mol.

Molecular Properties

Compound NameCID 167440331
PubChem CID167440331
Molecular FormulaC27H57O3Si
Molecular Weight457.84 g/mol
Exact Mass457.41
IUPAC Name—
SMILESCC(C)CC(CC(C)C)O[Si](OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C
InChIInChI=1S/C27H57O3Si/c1-19(2)13-25(14-20(3)4)28-31(29-26(15-21(5)6)16-22(7)8)30-27(17-23(9)10)18-24(11)12/h19-27H,13-18H2,1-12H3
InChIKeyVWESDWZIMSSZGQ-UHFFFAOYSA-N
XLogP8.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
CID 22216930
CID 22216930
tris(2,6-dimethylheptan-4-yloxy)silane
CID 175859767
2,4-dimethylpentane
CID 157050020
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
O-(1-amino-4-methylpentan-2-yl)hydroxylamine
CID 118970501
2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032
2,4-dimethylpentane;methane
CID 159476318
2,6-dimethylheptan-4-yl hydrogen carbonate
CID 154411359
N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine
CID 163968768
1-butoxy-4-methyl-2-propan-2-yloxypentane
CID 138514678
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197

Frequently Asked Questions

What is the IUPAC name of CID 167440331?
The IUPAC name of CID 167440331 (CID 167440331) is not available.
What is the SMILES notation for CID 167440331?
The canonical SMILES for CID 167440331 is CC(C)CC(CC(C)C)O[Si](OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C.
What is the InChIKey of CID 167440331?
The InChIKey is VWESDWZIMSSZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57O3Si/c1-19(2)13-25(14-20(3)4)28-31(29-26(15-21(5)6)16-22(7)8)30-27(17-23(9)10)18-24(11)12/h19-27H,13-18H2,1-12H3.
What are the key properties of CID 167440331?
CID 167440331 has a molecular weight of 457.84 g/mol, XLogP of 8.40, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167440331 is sourced from PubChem (CID 167440331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).