heptyl-dimethoxy-prop-2-enoxysilane

C12H26O3Si — CID 141340413

IUPACheptyl-dimethoxy-prop-2-enoxysilane
SMILESC=CCO[Si](CCCCCCC)(OC)OC
InChIInChI=1S/C12H26O3Si/c1-5-7-8-9-10-12-16(13-3,14-4)15-11-6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyOKZVSAANFVDECR-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.39
Rot. Bonds11

About heptyl-dimethoxy-prop-2-enoxysilane

heptyl-dimethoxy-prop-2-enoxysilane (PubChem CID 141340413) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is heptyl-dimethoxy-prop-2-enoxysilane.

Molecular Properties

Compound Nameheptyl-dimethoxy-prop-2-enoxysilane
PubChem CID141340413
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Nameheptyl-dimethoxy-prop-2-enoxysilane
SMILESC=CCO[Si](CCCCCCC)(OC)OC
InChIInChI=1S/C12H26O3Si/c1-5-7-8-9-10-12-16(13-3,14-4)15-11-6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyOKZVSAANFVDECR-UHFFFAOYSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
azane;trimethoxy(pentyl)silane
CID 19608931
fluoromethoxy-dimethoxy-octylsilane
CID 87825742
ethoxy-hexadec-15-enyl-dimethoxysilane
CID 87214510
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
dodecyl-diethoxy-methoxysilane
CID 141483107

Frequently Asked Questions

What is the IUPAC name of heptyl-dimethoxy-prop-2-enoxysilane?
The IUPAC name of heptyl-dimethoxy-prop-2-enoxysilane (CID 141340413) is heptyl-dimethoxy-prop-2-enoxysilane.
What is the SMILES notation for heptyl-dimethoxy-prop-2-enoxysilane?
The canonical SMILES for heptyl-dimethoxy-prop-2-enoxysilane is C=CCO[Si](CCCCCCC)(OC)OC.
What is the InChIKey of heptyl-dimethoxy-prop-2-enoxysilane?
The InChIKey is OKZVSAANFVDECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-5-7-8-9-10-12-16(13-3,14-4)15-11-6-2/h6H,2,5,7-12H2,1,3-4H3.
What are the key properties of heptyl-dimethoxy-prop-2-enoxysilane?
heptyl-dimethoxy-prop-2-enoxysilane has a molecular weight of 246.42 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-dimethoxy-prop-2-enoxysilane is sourced from PubChem (CID 141340413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).