azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane

C27H60ClNO3Si — CID 172702580

IUPACazane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane
SMILESCCCCCCCCCCCCCCC(CCC[Si](OCC)(OCC)OCC)C(C)(C)Cl.N
InChIInChI=1S/C27H57ClO3Si.H3N/c1-7-11-12-13-14-15-16-17-18-19-20-21-23-26(27(5,6)28)24-22-25-32(29-8-2,30-9-3)31-10-4;/h26H,7-25H2,1-6H3;1H3
InChIKeyDDUVWKBTOQJWOQ-UHFFFAOYSA-N
MW510.32 g/mol
LogP9.70
Rot. Bonds24

About azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane

azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane (PubChem CID 172702580) has the molecular formula C27H60ClNO3Si and a molecular weight of 510.32 g/mol. Its IUPAC name is azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane.

Molecular Properties

Compound Nameazane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane
PubChem CID172702580
Molecular FormulaC27H60ClNO3Si
Molecular Weight510.32 g/mol
Exact Mass509.40
IUPAC Nameazane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane
SMILESCCCCCCCCCCCCCCC(CCC[Si](OCC)(OCC)OCC)C(C)(C)Cl.N
InChIInChI=1S/C27H57ClO3Si.H3N/c1-7-11-12-13-14-15-16-17-18-19-20-21-23-26(27(5,6)28)24-22-25-32(29-8-2,30-9-3)31-10-4;/h26H,7-25H2,1-6H3;1H3
InChIKeyDDUVWKBTOQJWOQ-UHFFFAOYSA-N
XLogP9.70
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.32
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
azane;4-(2-chloropropan-2-yl)octadecan-1-amine
CID 174713785
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(8-fluorohenicosyl)silane
CID 87070985
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
1-triethoxysilylnonan-3-amine
CID 174893376
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814

Frequently Asked Questions

What is the IUPAC name of azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane?
The IUPAC name of azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane (CID 172702580) is azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane.
What is the SMILES notation for azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane?
The canonical SMILES for azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane is CCCCCCCCCCCCCCC(CCC[Si](OCC)(OCC)OCC)C(C)(C)Cl.N.
What is the InChIKey of azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane?
The InChIKey is DDUVWKBTOQJWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57ClO3Si.H3N/c1-7-11-12-13-14-15-16-17-18-19-20-21-23-26(27(5,6)28)24-22-25-32(29-8-2,30-9-3)31-10-4;/h26H,7-25H2,1-6H3;1H3.
What are the key properties of azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane?
azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane has a molecular weight of 510.32 g/mol, XLogP of 9.70, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane is sourced from PubChem (CID 172702580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).