4,4-diaminopent-2-en-3-yl trimethoxy silicate

C8H20N2O7Si — CID 174640861

IUPAC4,4-diaminopent-2-en-3-yl trimethoxy silicate
SMILESCC=C(O[Si](OOC)(OOC)OOC)C(C)(N)N
InChIInChI=1S/C8H20N2O7Si/c1-6-7(8(2,9)10)14-18(15-11-3,16-12-4)17-13-5/h6H,9-10H2,1-5H3
InChIKeyHEHFTPYTPOUKEG-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.29
Rot. Bonds9

About 4,4-diaminopent-2-en-3-yl trimethoxy silicate

4,4-diaminopent-2-en-3-yl trimethoxy silicate (PubChem CID 174640861) has the molecular formula C8H20N2O7Si and a molecular weight of 284.34 g/mol. Its IUPAC name is 4,4-diaminopent-2-en-3-yl trimethoxy silicate.

Molecular Properties

Compound Name4,4-diaminopent-2-en-3-yl trimethoxy silicate
PubChem CID174640861
Molecular FormulaC8H20N2O7Si
Molecular Weight284.34 g/mol
Exact Mass284.10
IUPAC Name4,4-diaminopent-2-en-3-yl trimethoxy silicate
SMILESCC=C(O[Si](OOC)(OOC)OOC)C(C)(N)N
InChIInChI=1S/C8H20N2O7Si/c1-6-7(8(2,9)10)14-18(15-11-3,16-12-4)17-13-5/h6H,9-10H2,1-5H3
InChIKeyHEHFTPYTPOUKEG-UHFFFAOYSA-N
XLogP-0.29
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethyl trimethoxy silicate
CID 175346530
pent-3-ene-2,2-diamine
CID 154022958
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
1-(tert-butylamino)propyl trimethoxy silicate
CID 174742831
(E)-2-methylperoxyethenamine
CID 155769505
lithium (E)-1-methoxy-3,3-dimethylbut-1-en-1-olate
CID 23691907
1-trihydroxysilylethane-1,1-diamine
CID 87685375
(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene
CID 14045263
methyl 2-amino-2-methylpropaneperoxoate;hydrochloride
CID 175031263
(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine
CID 139378217
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
2-aminopropan-2-ol;copper
CID 87854275

Frequently Asked Questions

What is the IUPAC name of 4,4-diaminopent-2-en-3-yl trimethoxy silicate?
The IUPAC name of 4,4-diaminopent-2-en-3-yl trimethoxy silicate (CID 174640861) is 4,4-diaminopent-2-en-3-yl trimethoxy silicate.
What is the SMILES notation for 4,4-diaminopent-2-en-3-yl trimethoxy silicate?
The canonical SMILES for 4,4-diaminopent-2-en-3-yl trimethoxy silicate is CC=C(O[Si](OOC)(OOC)OOC)C(C)(N)N.
What is the InChIKey of 4,4-diaminopent-2-en-3-yl trimethoxy silicate?
The InChIKey is HEHFTPYTPOUKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O7Si/c1-6-7(8(2,9)10)14-18(15-11-3,16-12-4)17-13-5/h6H,9-10H2,1-5H3.
What are the key properties of 4,4-diaminopent-2-en-3-yl trimethoxy silicate?
4,4-diaminopent-2-en-3-yl trimethoxy silicate has a molecular weight of 284.34 g/mol, XLogP of -0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diaminopent-2-en-3-yl trimethoxy silicate is sourced from PubChem (CID 174640861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).