bis(1H-inden-1-yloxy)-dioctylstannane

C34H48O2Sn — CID 150847778

IUPACbis(1H-inden-1-yloxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(OC1C=Cc2ccccc21)OC1C=Cc2ccccc21
InChIInChI=1S/2C9H7O.2C8H17.Sn/c2*10-9-6-5-7-3-1-2-4-8(7)9;2*1-3-5-7-8-6-4-2;/h2*1-6,9H;2*1,3-8H2,2H3;/q2*-1;;;+2
InChIKeyKPJMMJKFKLHBPR-UHFFFAOYSA-N
MW607.47 g/mol
LogP10.72
Rot. Bonds18

About bis(1H-inden-1-yloxy)-dioctylstannane

bis(1H-inden-1-yloxy)-dioctylstannane (PubChem CID 150847778) has the molecular formula C34H48O2Sn and a molecular weight of 607.47 g/mol. Its IUPAC name is bis(1H-inden-1-yloxy)-dioctylstannane.

Molecular Properties

Compound Namebis(1H-inden-1-yloxy)-dioctylstannane
PubChem CID150847778
Molecular FormulaC34H48O2Sn
Molecular Weight607.47 g/mol
Exact Mass608.27
IUPAC Namebis(1H-inden-1-yloxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(OC1C=Cc2ccccc21)OC1C=Cc2ccccc21
InChIInChI=1S/2C9H7O.2C8H17.Sn/c2*10-9-6-5-7-3-1-2-4-8(7)9;2*1-3-5-7-8-6-4-2;/h2*1-6,9H;2*1,3-8H2,2H3;/q2*-1;;;+2
InChIKeyKPJMMJKFKLHBPR-UHFFFAOYSA-N
XLogP10.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.47
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-inden-1-yl hexanoate
CID 19688742
CID 162143943
CID 162143943
hexyl-tris(1H-inden-1-yl)silane
CID 10837596
1-butyl-1H-indene;zirconium
CID 175289141
(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 11231456
1-[1-(1H-inden-1-yl)dec-1-enyl]-1H-indene
CID 151420770
decyl(1H-inden-1-yl)cyanamide
CID 151582376
hexyl 3-(1H-inden-1-yl)propanoate
CID 132546238
1-prop-2-enoxy-1H-indene
CID 166691848
1H-inden-1-yl formate
CID 54514146
1-(4-butylphenyl)-1H-indene
CID 159304523
bis(2-butylphenoxy)-dioctylstannane
CID 67503102

Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-yloxy)-dioctylstannane?
The IUPAC name of bis(1H-inden-1-yloxy)-dioctylstannane (CID 150847778) is bis(1H-inden-1-yloxy)-dioctylstannane.
What is the SMILES notation for bis(1H-inden-1-yloxy)-dioctylstannane?
The canonical SMILES for bis(1H-inden-1-yloxy)-dioctylstannane is CCCCCCCC[Sn](CCCCCCCC)(OC1C=Cc2ccccc21)OC1C=Cc2ccccc21.
What is the InChIKey of bis(1H-inden-1-yloxy)-dioctylstannane?
The InChIKey is KPJMMJKFKLHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7O.2C8H17.Sn/c2*10-9-6-5-7-3-1-2-4-8(7)9;2*1-3-5-7-8-6-4-2;/h2*1-6,9H;2*1,3-8H2,2H3;/q2*-1;;;+2.
What are the key properties of bis(1H-inden-1-yloxy)-dioctylstannane?
bis(1H-inden-1-yloxy)-dioctylstannane has a molecular weight of 607.47 g/mol, XLogP of 10.72, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-yloxy)-dioctylstannane is sourced from PubChem (CID 150847778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).