2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane

C19H32OSi — CID 58630455

IUPAC2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
SMILESC=CCC[Si](OC1CC2C=CC=CC2C1)(C(C)C)C(C)C
InChIInChI=1S/C19H32OSi/c1-6-7-12-21(15(2)3,16(4)5)20-19-13-17-10-8-9-11-18(17)14-19/h6,8-11,15-19H,1,7,12-14H2,2-5H3
InChIKeyZCOXDDVMOSPDBN-UHFFFAOYSA-N
MW304.55 g/mol
LogP5.87
Rot. Bonds7

About 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane

2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane (PubChem CID 58630455) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
PubChem CID58630455
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
SMILESC=CCC[Si](OC1CC2C=CC=CC2C1)(C(C)C)C(C)C
InChIInChI=1S/C19H32OSi/c1-6-7-12-21(15(2)3,16(4)5)20-19-13-17-10-8-9-11-18(17)14-19/h6,8-11,15-19H,1,7,12-14H2,2-5H3
InChIKeyZCOXDDVMOSPDBN-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 134849881
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 11242587
bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 18736444
CID 18736445
CID 18736445
[1-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630452
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630454
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630456
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630457
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630462
trimethyl-[(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]silane
CID 59110805
[2,3,3a,7a-tetrahydro-1H-inden-2-yloxy(dimethyl)silyl]-tert-butylazanide;carbanide;titanium(4+)
CID 59110806
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(trimethyl)silane
CID 59110811

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane (CID 58630455) is 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane is C=CCC[Si](OC1CC2C=CC=CC2C1)(C(C)C)C(C)C.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane?
The InChIKey is ZCOXDDVMOSPDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32OSi/c1-6-7-12-21(15(2)3,16(4)5)20-19-13-17-10-8-9-11-18(17)14-19/h6,8-11,15-19H,1,7,12-14H2,2-5H3.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane?
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane has a molecular weight of 304.55 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane is sourced from PubChem (CID 58630455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).