N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine

C23H45N3O3Si — CID 57100611

IUPACN-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine
SMILESC=C[Si](ONC(C)=CCCCC)(ONC(C)=CCCCC)ONC(C)=CCCCC
InChIInChI=1S/C23H45N3O3Si/c1-8-12-15-18-21(5)24-27-30(11-4,28-25-22(6)19-16-13-9-2)29-26-23(7)20-17-14-10-3/h11,18-20,24-26H,4,8-10,12-17H2,1-3,5-7H3
InChIKeyMNTMVFVTMSMRLQ-UHFFFAOYSA-N
MW439.72 g/mol
LogP6.50
Rot. Bonds19

About N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine

N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine (PubChem CID 57100611) has the molecular formula C23H45N3O3Si and a molecular weight of 439.72 g/mol. Its IUPAC name is N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine.

Molecular Properties

Compound NameN-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine
PubChem CID57100611
Molecular FormulaC23H45N3O3Si
Molecular Weight439.72 g/mol
Exact Mass439.32
IUPAC NameN-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine
SMILESC=C[Si](ONC(C)=CCCCC)(ONC(C)=CCCCC)ONC(C)=CCCCC
InChIInChI=1S/C23H45N3O3Si/c1-8-12-15-18-21(5)24-27-30(11-4,28-25-22(6)19-16-13-9-2)29-26-23(7)20-17-14-10-3/h11,18-20,24-26H,4,8-10,12-17H2,1-3,5-7H3
InChIKeyMNTMVFVTMSMRLQ-UHFFFAOYSA-N
XLogP6.50
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.72
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine?
The IUPAC name of N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine (CID 57100611) is N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine.
What is the SMILES notation for N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine?
The canonical SMILES for N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine is C=C[Si](ONC(C)=CCCCC)(ONC(C)=CCCCC)ONC(C)=CCCCC.
What is the InChIKey of N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine?
The InChIKey is MNTMVFVTMSMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O3Si/c1-8-12-15-18-21(5)24-27-30(11-4,28-25-22(6)19-16-13-9-2)29-26-23(7)20-17-14-10-3/h11,18-20,24-26H,4,8-10,12-17H2,1-3,5-7H3.
What are the key properties of N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine?
N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine has a molecular weight of 439.72 g/mol, XLogP of 6.50, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl-bis[(hept-2-en-2-ylamino)oxy]silyl]oxyhept-2-en-2-amine is sourced from PubChem (CID 57100611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).