1,1,2-tripentoxyprop-2-enylsilane

C18H38O3Si — CID 173115895

IUPAC1,1,2-tripentoxyprop-2-enylsilane
SMILESC=C(OCCCCC)C([SiH3])(OCCCCC)OCCCCC
InChIInChI=1S/C18H38O3Si/c1-5-8-11-14-19-17(4)18(22,20-15-12-9-6-2)21-16-13-10-7-3/h4-16H2,1-3,22H3
InChIKeyCFDDACYOGPZCEE-UHFFFAOYSA-N
MW330.59 g/mol
LogP4.14
Rot. Bonds16

About 1,1,2-tripentoxyprop-2-enylsilane

1,1,2-tripentoxyprop-2-enylsilane (PubChem CID 173115895) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is 1,1,2-tripentoxyprop-2-enylsilane.

Molecular Properties

Compound Name1,1,2-tripentoxyprop-2-enylsilane
PubChem CID173115895
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name1,1,2-tripentoxyprop-2-enylsilane
SMILESC=C(OCCCCC)C([SiH3])(OCCCCC)OCCCCC
InChIInChI=1S/C18H38O3Si/c1-5-8-11-14-19-17(4)18(22,20-15-12-9-6-2)21-16-13-10-7-3/h4-16H2,1-3,22H3
InChIKeyCFDDACYOGPZCEE-UHFFFAOYSA-N
XLogP4.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-but-1-en-2-yloxyhexane
CID 57257919
1-oct-1-en-2-yloxydodecane
CID 58247133
pentyl 2-(hydroxymethyl)prop-2-enoate
CID 54519324
heptyl 2-methylideneundecanoate
CID 176549260
nonyl 2-methylideneundecanoate
CID 142441213
octadecyl 2-methylideneicosanoate
CID 57219526
nonyl 2-methylidenepentanoate
CID 90751965
1-buta-1,3-dien-2-yloxydocosane
CID 166669930
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
octatetracontyl 2-methylprop-2-enoate
CID 141233444
trihydroxy(1-pentoxyethenoxy)silane
CID 175003148

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tripentoxyprop-2-enylsilane?
The IUPAC name of 1,1,2-tripentoxyprop-2-enylsilane (CID 173115895) is 1,1,2-tripentoxyprop-2-enylsilane.
What is the SMILES notation for 1,1,2-tripentoxyprop-2-enylsilane?
The canonical SMILES for 1,1,2-tripentoxyprop-2-enylsilane is C=C(OCCCCC)C([SiH3])(OCCCCC)OCCCCC.
What is the InChIKey of 1,1,2-tripentoxyprop-2-enylsilane?
The InChIKey is CFDDACYOGPZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-5-8-11-14-19-17(4)18(22,20-15-12-9-6-2)21-16-13-10-7-3/h4-16H2,1-3,22H3.
What are the key properties of 1,1,2-tripentoxyprop-2-enylsilane?
1,1,2-tripentoxyprop-2-enylsilane has a molecular weight of 330.59 g/mol, XLogP of 4.14, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tripentoxyprop-2-enylsilane is sourced from PubChem (CID 173115895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).