tris(1-ethoxyethenyl)indigane

C12H21InO3 — CID 177444077

IUPACtris(1-ethoxyethenyl)indigane
SMILESC=C(OCC)[In](C(=C)OCC)C(=C)OCC
InChIInChI=1S/3C4H7O.In/c3*1-3-5-4-2;/h3*1,4H2,2H3;
InChIKeyWSWAMWBGGGBQNC-UHFFFAOYSA-N
MW328.12 g/mol
LogP2.75
Rot. Bonds9

About tris(1-ethoxyethenyl)indigane

tris(1-ethoxyethenyl)indigane (PubChem CID 177444077) has the molecular formula C12H21InO3 and a molecular weight of 328.12 g/mol. Its IUPAC name is tris(1-ethoxyethenyl)indigane.

Molecular Properties

Compound Nametris(1-ethoxyethenyl)indigane
PubChem CID177444077
Molecular FormulaC12H21InO3
Molecular Weight328.12 g/mol
Exact Mass328.05
IUPAC Nametris(1-ethoxyethenyl)indigane
SMILESC=C(OCC)[In](C(=C)OCC)C(=C)OCC
InChIInChI=1S/3C4H7O.In/c3*1-3-5-4-2;/h3*1,4H2,2H3;
InChIKeyWSWAMWBGGGBQNC-UHFFFAOYSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxyethene;ethane-1,2-diol
CID 88771000
copper(1+);1-ethoxyethenolate
CID 73187688
CID 19771158
CID 19771158
2-ethoxyprop-2-enylstannane
CID 175872207
ethane;2-ethoxy-3-methylbuta-1,3-diene
CID 144636668
(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
2-chloro-3-ethoxybuta-1,3-diene
CID 102247502
ethane;2-ethoxy-3-fluorobuta-1,3-diene
CID 176975991
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273
2-ethoxyprop-1-ene;phosphoric acid
CID 175275103

Frequently Asked Questions

What is the IUPAC name of tris(1-ethoxyethenyl)indigane?
The IUPAC name of tris(1-ethoxyethenyl)indigane (CID 177444077) is tris(1-ethoxyethenyl)indigane.
What is the SMILES notation for tris(1-ethoxyethenyl)indigane?
The canonical SMILES for tris(1-ethoxyethenyl)indigane is C=C(OCC)[In](C(=C)OCC)C(=C)OCC.
What is the InChIKey of tris(1-ethoxyethenyl)indigane?
The InChIKey is WSWAMWBGGGBQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H7O.In/c3*1-3-5-4-2;/h3*1,4H2,2H3;.
What are the key properties of tris(1-ethoxyethenyl)indigane?
tris(1-ethoxyethenyl)indigane has a molecular weight of 328.12 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-ethoxyethenyl)indigane is sourced from PubChem (CID 177444077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).