1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)

C32H54HfSi — CID 162286835

IUPAC1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)
SMILESCC1=CC=C(C)C2C1CC(C)C2[Si]1(C2C(C)CC3C(C)=CC=C(C)C32)CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C28H42Si.4CH3.Hf/c1-17-9-11-19(3)25-23(17)15-21(5)27(25)29(13-7-8-14-29)28-22(6)16-24-18(2)10-12-20(4)26(24)28;;;;;/h9-12,21-28H,7-8,13-16H2,1-6H3;4*1H3;/q;4*-1;+4
InChIKeyQOVRGIVZVPOXOP-UHFFFAOYSA-N
MW645.36 g/mol
LogP10.12
Rot. Bonds2

About 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)

1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+) (PubChem CID 162286835) has the molecular formula C32H54HfSi and a molecular weight of 645.36 g/mol. Its IUPAC name is 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+).

Molecular Properties

Compound Name1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)
PubChem CID162286835
Molecular FormulaC32H54HfSi
Molecular Weight645.36 g/mol
Exact Mass646.35
IUPAC Name1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)
SMILESCC1=CC=C(C)C2C1CC(C)C2[Si]1(C2C(C)CC3C(C)=CC=C(C)C32)CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C28H42Si.4CH3.Hf/c1-17-9-11-19(3)25-23(17)15-21(5)27(25)29(13-7-8-14-29)28-22(6)16-24-18(2)10-12-20(4)26(24)28;;;;;/h9-12,21-28H,7-8,13-16H2,1-6H3;4*1H3;/q;4*-1;+4
InChIKeyQOVRGIVZVPOXOP-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.36
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)?
The IUPAC name of 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+) (CID 162286835) is 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+).
What is the SMILES notation for 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)?
The canonical SMILES for 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+) is CC1=CC=C(C)C2C1CC(C)C2[Si]1(C2C(C)CC3C(C)=CC=C(C)C32)CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].
What is the InChIKey of 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)?
The InChIKey is QOVRGIVZVPOXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42Si.4CH3.Hf/c1-17-9-11-19(3)25-23(17)15-21(5)27(25)29(13-7-8-14-29)28-22(6)16-24-18(2)10-12-20(4)26(24)28;;;;;/h9-12,21-28H,7-8,13-16H2,1-6H3;4*1H3;/q;4*-1;+4.
What are the key properties of 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)?
1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+) has a molecular weight of 645.36 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+) is sourced from PubChem (CID 162286835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).