dimethyl-(2-nonadecyloxan-2-yl)silane

C26H54OSi — CID 123381565

IUPACdimethyl-(2-nonadecyloxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCCC1([SiH](C)C)CCCCO1
InChIInChI=1S/C26H54OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28(2)3)24-21-22-25-27-26/h28H,4-25H2,1-3H3
InChIKeyCTSSZNTXQYNKST-UHFFFAOYSA-N
MW410.80 g/mol
LogP8.99
Rot. Bonds19

About dimethyl-(2-nonadecyloxan-2-yl)silane

dimethyl-(2-nonadecyloxan-2-yl)silane (PubChem CID 123381565) has the molecular formula C26H54OSi and a molecular weight of 410.80 g/mol. Its IUPAC name is dimethyl-(2-nonadecyloxan-2-yl)silane.

Molecular Properties

Compound Namedimethyl-(2-nonadecyloxan-2-yl)silane
PubChem CID123381565
Molecular FormulaC26H54OSi
Molecular Weight410.80 g/mol
Exact Mass410.39
IUPAC Namedimethyl-(2-nonadecyloxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCCC1([SiH](C)C)CCCCO1
InChIInChI=1S/C26H54OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28(2)3)24-21-22-25-27-26/h28H,4-25H2,1-3H3
InChIKeyCTSSZNTXQYNKST-UHFFFAOYSA-N
XLogP8.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.80
LogP ≤ 58.99
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

(2-butyloxan-2-yl)-dimethylsilane
CID 123761011
2-hexyl-2-methyloxane
CID 67835603
(2-hexyloxan-2-yl)silane
CID 123313847
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538
2-pentyloxan-2-ol
CID 10035063
methyl-(2-octyloxan-2-yl)silane
CID 123518274
tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane
CID 173221020
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-heptyl-2-methyloxolane
CID 66630336
[2-[(2-dimethylsilyloxan-2-yl)methyl]oxan-2-yl]-ethenyl-methylsilane
CID 173175504
dimethyl-(2-nonadecan-2-yloxyoxan-2-yl)silane
CID 173200522
1-methyl-1-undecylcyclohexane
CID 86137257

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-nonadecyloxan-2-yl)silane?
The IUPAC name of dimethyl-(2-nonadecyloxan-2-yl)silane (CID 123381565) is dimethyl-(2-nonadecyloxan-2-yl)silane.
What is the SMILES notation for dimethyl-(2-nonadecyloxan-2-yl)silane?
The canonical SMILES for dimethyl-(2-nonadecyloxan-2-yl)silane is CCCCCCCCCCCCCCCCCCCC1([SiH](C)C)CCCCO1.
What is the InChIKey of dimethyl-(2-nonadecyloxan-2-yl)silane?
The InChIKey is CTSSZNTXQYNKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28(2)3)24-21-22-25-27-26/h28H,4-25H2,1-3H3.
What are the key properties of dimethyl-(2-nonadecyloxan-2-yl)silane?
dimethyl-(2-nonadecyloxan-2-yl)silane has a molecular weight of 410.80 g/mol, XLogP of 8.99, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-nonadecyloxan-2-yl)silane is sourced from PubChem (CID 123381565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).