2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C16H38O5Si5 — CID 173009343

IUPAC2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC=CC(CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)[SiH]1CCCCO1
InChIInChI=1S/C16H38O5Si5/c1-9-16(22-14-11-10-13-17-22)12-15-26(8)20-24(4,5)18-23(2,3)19-25(6,7)21-26/h9,16,22H,1,10-15H2,2-8H3
InChIKeyNAJDDVOCTNEGHR-UHFFFAOYSA-N
MW450.91 g/mol
LogP4.72
Rot. Bonds5

About 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 173009343) has the molecular formula C16H38O5Si5 and a molecular weight of 450.91 g/mol. Its IUPAC name is 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID173009343
Molecular FormulaC16H38O5Si5
Molecular Weight450.91 g/mol
Exact Mass450.16
IUPAC Name2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC=CC(CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)[SiH]1CCCCO1
InChIInChI=1S/C16H38O5Si5/c1-9-16(22-14-11-10-13-17-22)12-15-26(8)20-24(4,5)18-23(2,3)19-25(6,7)21-26/h9,16,22H,1,10-15H2,2-8H3
InChIKeyNAJDDVOCTNEGHR-UHFFFAOYSA-N
XLogP4.72
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.91
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Related Compounds

2-(1-fluoroprop-2-enyl)oxasilinane
CID 173079753
2-hept-6-en-2-yloxasilinane
CID 173367365
1-(oxasilinan-2-yl)propan-1-amine
CID 173013581
1-(oxasilinan-2-yl)ethane-1,2-diol
CID 173483101
2-(3-methylbutan-2-yl)oxasilinane
CID 173453680
2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine
CID 173231233
2-(2-methylpent-1-en-3-yl)oxasilinane
CID 173388284
6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one
CID 173037940
4-(oxasilinan-2-yl)pentanenitrile
CID 175149577
2-(1,1,2-trifluoropentan-3-yl)oxasilinane
CID 175589456
4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one
CID 173056367
2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane
CID 158551467

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 173009343) is 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C=CC(CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)[SiH]1CCCCO1.
What is the InChIKey of 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is NAJDDVOCTNEGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O5Si5/c1-9-16(22-14-11-10-13-17-22)12-15-26(8)20-24(4,5)18-23(2,3)19-25(6,7)21-26/h9,16,22H,1,10-15H2,2-8H3.
What are the key properties of 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 450.91 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8-heptamethyl-8-[3-(oxasilinan-2-yl)pent-4-enyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 173009343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).