(15-amino-14-methylpentadecyl) tritetradecyl silicate

C58H121NO4Si — CID 175996343

IUPAC(15-amino-14-methylpentadecyl) tritetradecyl silicate
SMILESCCCCCCCCCCCCCCO[Si](OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC(C)CN
InChIInChI=1S/C58H121NO4Si/c1-5-8-11-14-17-20-23-28-33-38-43-48-53-60-64(61-54-49-44-39-34-29-24-21-18-15-12-9-6-2,62-55-50-45-40-35-30-25-22-19-16-13-10-7-3)63-56-51-46-41-36-31-26-27-32-37-42-47-52-58(4)57-59/h58H,5-57,59H2,1-4H3
InChIKeyCAPVACAIZAAWRO-UHFFFAOYSA-N
MW924.69 g/mol
LogP19.87
Rot. Bonds58

About (15-amino-14-methylpentadecyl) tritetradecyl silicate

(15-amino-14-methylpentadecyl) tritetradecyl silicate (PubChem CID 175996343) has the molecular formula C58H121NO4Si and a molecular weight of 924.69 g/mol. Its IUPAC name is (15-amino-14-methylpentadecyl) tritetradecyl silicate.

Molecular Properties

Compound Name(15-amino-14-methylpentadecyl) tritetradecyl silicate
PubChem CID175996343
Molecular FormulaC58H121NO4Si
Molecular Weight924.69 g/mol
Exact Mass923.91
IUPAC Name(15-amino-14-methylpentadecyl) tritetradecyl silicate
SMILESCCCCCCCCCCCCCCO[Si](OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC(C)CN
InChIInChI=1S/C58H121NO4Si/c1-5-8-11-14-17-20-23-28-33-38-43-48-53-60-64(61-54-49-44-39-34-29-24-21-18-15-12-9-6-2,62-55-50-45-40-35-30-25-22-19-16-13-10-7-3)63-56-51-46-41-36-31-26-27-32-37-42-47-52-58(4)57-59/h58H,5-57,59H2,1-4H3
InChIKeyCAPVACAIZAAWRO-UHFFFAOYSA-N
XLogP19.87
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds58
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.69
LogP ≤ 519.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
2-methyloctadecan-1-amine
CID 56980469
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
2-methyl-3-trihexadecoxysilylpropan-1-amine
CID 87404816
tributyl octyl silicate
CID 141280761
3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine
CID 87404887
tributyl pentyl silicate
CID 524737
dibutyl dipentyl silicate
CID 524713
17-dodecoxy-17-hexadecoxysilyloxy-2-methylheptadecan-1-amine
CID 173496876

Frequently Asked Questions

What is the IUPAC name of (15-amino-14-methylpentadecyl) tritetradecyl silicate?
The IUPAC name of (15-amino-14-methylpentadecyl) tritetradecyl silicate (CID 175996343) is (15-amino-14-methylpentadecyl) tritetradecyl silicate.
What is the SMILES notation for (15-amino-14-methylpentadecyl) tritetradecyl silicate?
The canonical SMILES for (15-amino-14-methylpentadecyl) tritetradecyl silicate is CCCCCCCCCCCCCCO[Si](OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC(C)CN.
What is the InChIKey of (15-amino-14-methylpentadecyl) tritetradecyl silicate?
The InChIKey is CAPVACAIZAAWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H121NO4Si/c1-5-8-11-14-17-20-23-28-33-38-43-48-53-60-64(61-54-49-44-39-34-29-24-21-18-15-12-9-6-2,62-55-50-45-40-35-30-25-22-19-16-13-10-7-3)63-56-51-46-41-36-31-26-27-32-37-42-47-52-58(4)57-59/h58H,5-57,59H2,1-4H3.
What are the key properties of (15-amino-14-methylpentadecyl) tritetradecyl silicate?
(15-amino-14-methylpentadecyl) tritetradecyl silicate has a molecular weight of 924.69 g/mol, XLogP of 19.87, 58 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (15-amino-14-methylpentadecyl) tritetradecyl silicate is sourced from PubChem (CID 175996343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).