2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane

C27H56O4Si2 — CID 173091214

IUPAC2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane
SMILESCCCCCCCCCCCCCCCCO[Si]1(OC[SiH]2CCCCO2)CCCC(C)(C)O1
InChIInChI=1S/C27H56O4Si2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-33(25-20-21-27(2,3)31-33)30-26-32-24-19-18-22-28-32/h32H,4-26H2,1-3H3
InChIKeyABOZJAOBSPGISY-UHFFFAOYSA-N
MW500.91 g/mol
LogP8.10
Rot. Bonds19

About 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane

2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane (PubChem CID 173091214) has the molecular formula C27H56O4Si2 and a molecular weight of 500.91 g/mol. Its IUPAC name is 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane.

Molecular Properties

Compound Name2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane
PubChem CID173091214
Molecular FormulaC27H56O4Si2
Molecular Weight500.91 g/mol
Exact Mass500.37
IUPAC Name2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane
SMILESCCCCCCCCCCCCCCCCO[Si]1(OC[SiH]2CCCCO2)CCCC(C)(C)O1
InChIInChI=1S/C27H56O4Si2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-33(25-20-21-27(2,3)31-33)30-26-32-24-19-18-22-28-32/h32H,4-26H2,1-3H3
InChIKeyABOZJAOBSPGISY-UHFFFAOYSA-N
XLogP8.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-octoxysilolane
CID 611561
2-octan-2-yloxyoxasilinane
CID 175422829
2-icosan-2-yloxyoxasilinane
CID 173083357
1,1-dipentoxysilolane
CID 608427
1-ethyl-1-tetradecoxysilolane
CID 626691
1-decoxy-1-methylsilinane
CID 620378
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538
1-ethyl-1-octoxysilinane
CID 614794
1-ethyl-1-tetradecoxysilinane
CID 628313
CID 174954011
CID 174954011
1-(oxasilinan-2-yl)octan-1-one
CID 173082141
1-pentoxysilolane
CID 123150120

Frequently Asked Questions

What is the IUPAC name of 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane?
The IUPAC name of 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane (CID 173091214) is 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane.
What is the SMILES notation for 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane?
The canonical SMILES for 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane is CCCCCCCCCCCCCCCCO[Si]1(OC[SiH]2CCCCO2)CCCC(C)(C)O1.
What is the InChIKey of 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane?
The InChIKey is ABOZJAOBSPGISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O4Si2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-33(25-20-21-27(2,3)31-33)30-26-32-24-19-18-22-28-32/h32H,4-26H2,1-3H3.
What are the key properties of 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane?
2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane has a molecular weight of 500.91 g/mol, XLogP of 8.10, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane is sourced from PubChem (CID 173091214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).