7-diethoxysilyl-3-methylhept-3-en-4-amine

C12H27NO2Si — CID 175916545

IUPAC7-diethoxysilyl-3-methylhept-3-en-4-amine
SMILESCCO[SiH](CCCC(N)=C(C)CC)OCC
InChIInChI=1S/C12H27NO2Si/c1-5-11(4)12(13)9-8-10-16(14-6-2)15-7-3/h16H,5-10,13H2,1-4H3
InChIKeyBZJWXWBXTRBIKO-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.70
Rot. Bonds9

About 7-diethoxysilyl-3-methylhept-3-en-4-amine

7-diethoxysilyl-3-methylhept-3-en-4-amine (PubChem CID 175916545) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is 7-diethoxysilyl-3-methylhept-3-en-4-amine.

Molecular Properties

Compound Name7-diethoxysilyl-3-methylhept-3-en-4-amine
PubChem CID175916545
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name7-diethoxysilyl-3-methylhept-3-en-4-amine
SMILESCCO[SiH](CCCC(N)=C(C)CC)OCC
InChIInChI=1S/C12H27NO2Si/c1-5-11(4)12(13)9-8-10-16(14-6-2)15-7-3/h16H,5-10,13H2,1-4H3
InChIKeyBZJWXWBXTRBIKO-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-diethoxysilylnonyl(diethoxy)silane
CID 123249376
3-diethoxysilylpropyl(dimethoxy)silane
CID 59537920
(E)-4-methylhex-3-en-3-amine
CID 129020883
5-diethoxysilyl-2-methylpentan-1-amine
CID 123238269
7-bromoheptyl(diethoxy)silane
CID 174144161
5-methyloct-4-en-4-amine
CID 176900512
3-diethoxysilylpropyl(triethoxy)silane
CID 123524141
8-diethoxysilyloct-1-en-3-one
CID 175421889
3-diethoxysilylpropyl prop-2-enoate
CID 123313393
3-[ethoxy(silyloxy)silyl]propyl 2-methylprop-2-enoate
CID 173224695
2-(4-diethoxysilylbutylamino)ethanol
CID 173106587
3-diethoxysilylpropyl benzoate
CID 123660866

Frequently Asked Questions

What is the IUPAC name of 7-diethoxysilyl-3-methylhept-3-en-4-amine?
The IUPAC name of 7-diethoxysilyl-3-methylhept-3-en-4-amine (CID 175916545) is 7-diethoxysilyl-3-methylhept-3-en-4-amine.
What is the SMILES notation for 7-diethoxysilyl-3-methylhept-3-en-4-amine?
The canonical SMILES for 7-diethoxysilyl-3-methylhept-3-en-4-amine is CCO[SiH](CCCC(N)=C(C)CC)OCC.
What is the InChIKey of 7-diethoxysilyl-3-methylhept-3-en-4-amine?
The InChIKey is BZJWXWBXTRBIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-5-11(4)12(13)9-8-10-16(14-6-2)15-7-3/h16H,5-10,13H2,1-4H3.
What are the key properties of 7-diethoxysilyl-3-methylhept-3-en-4-amine?
7-diethoxysilyl-3-methylhept-3-en-4-amine has a molecular weight of 245.44 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diethoxysilyl-3-methylhept-3-en-4-amine is sourced from PubChem (CID 175916545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).