4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane

C27H56OSi — CID 175000683

IUPAC4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane
SMILESCCCCCCCCCCCCCCCCC1(C)C[Si](C)(C)OC(C)(C)C1(C)C
InChIInChI=1S/C27H56OSi/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(6)24-29(7,8)28-26(4,5)25(27,2)3/h9-24H2,1-8H3
InChIKeyUHIXNRCWBHYUBJ-UHFFFAOYSA-N
MW424.83 g/mol
LogP9.90
Rot. Bonds15

About 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane

4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane (PubChem CID 175000683) has the molecular formula C27H56OSi and a molecular weight of 424.83 g/mol. Its IUPAC name is 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane.

Molecular Properties

Compound Name4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane
PubChem CID175000683
Molecular FormulaC27H56OSi
Molecular Weight424.83 g/mol
Exact Mass424.41
IUPAC Name4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane
SMILESCCCCCCCCCCCCCCCCC1(C)C[Si](C)(C)OC(C)(C)C1(C)C
InChIInChI=1S/C27H56OSi/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(6)24-29(7,8)28-26(4,5)25(27,2)3/h9-24H2,1-8H3
InChIKeyUHIXNRCWBHYUBJ-UHFFFAOYSA-N
XLogP9.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.83
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane
CID 174913830
1-decyl-1,2,2-trimethylcyclooctane
CID 150686045
2-heptyl-2,3,3-trimethyloxirane
CID 19373807
2-hexadecyl-2-methyloxirane
CID 87444144
2-methyl-2-nonadecyloxirane
CID 87754306
2-icosyl-2-methyloxirane
CID 87753382
azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride
CID 160540589
1-methyl-1-undecylcyclohexane
CID 86137257
3-methyl-3-octyloxetane
CID 162658167
3-hexyl-3,6,6,9,9-pentamethyl-1,2,4,5,7,8-hexaoxonane
CID 123140797
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506

Frequently Asked Questions

What is the IUPAC name of 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane?
The IUPAC name of 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane (CID 175000683) is 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane.
What is the SMILES notation for 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane?
The canonical SMILES for 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane is CCCCCCCCCCCCCCCCC1(C)C[Si](C)(C)OC(C)(C)C1(C)C.
What is the InChIKey of 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane?
The InChIKey is UHIXNRCWBHYUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56OSi/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(6)24-29(7,8)28-26(4,5)25(27,2)3/h9-24H2,1-8H3.
What are the key properties of 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane?
4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane has a molecular weight of 424.83 g/mol, XLogP of 9.90, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane is sourced from PubChem (CID 175000683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).