2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane

C29H50Si — CID 58773328

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane
SMILESCCCCCCCCC[Si@@](C1CCCCC1)(C1CCCC1)C1CCC2C=CC=CC21
InChIInChI=1S/C29H50Si/c1-2-3-4-5-6-7-15-24-30(27-19-12-13-20-27,26-17-9-8-10-18-26)29-23-22-25-16-11-14-21-28(25)29/h11,14,16,21,25-29H,2-10,12-13,15,17-20,22-24H2,1H3/t25?,28?,29?,30-/m1/s1
InChIKeyNJKLMRSKRULTGJ-YQIWWJQXSA-N
MW426.81 g/mol
LogP9.99
Rot. Bonds11

About 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane

2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane (PubChem CID 58773328) has the molecular formula C29H50Si and a molecular weight of 426.81 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane
PubChem CID58773328
Molecular FormulaC29H50Si
Molecular Weight426.81 g/mol
Exact Mass426.37
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane
SMILESCCCCCCCCC[Si@@](C1CCCCC1)(C1CCCC1)C1CCC2C=CC=CC21
InChIInChI=1S/C29H50Si/c1-2-3-4-5-6-7-15-24-30(27-19-12-13-20-27,26-17-9-8-10-18-26)29-23-22-25-16-11-14-21-28(25)29/h11,14,16,21,25-29H,2-10,12-13,15,17-20,22-24H2,1H3/t25?,28?,29?,30-/m1/s1
InChIKeyNJKLMRSKRULTGJ-YQIWWJQXSA-N
XLogP9.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.81
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane (CID 58773328) is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane is CCCCCCCCC[Si@@](C1CCCCC1)(C1CCCC1)C1CCC2C=CC=CC21.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane?
The InChIKey is NJKLMRSKRULTGJ-YQIWWJQXSA-N. The full InChI is InChI=1S/C29H50Si/c1-2-3-4-5-6-7-15-24-30(27-19-12-13-20-27,26-17-9-8-10-18-26)29-23-22-25-16-11-14-21-28(25)29/h11,14,16,21,25-29H,2-10,12-13,15,17-20,22-24H2,1H3/t25?,28?,29?,30-/m1/s1.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane?
2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane has a molecular weight of 426.81 g/mol, XLogP of 9.99, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-cyclohexyl-cyclopentyl-nonylsilane is sourced from PubChem (CID 58773328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).