4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

C29H38Si — CID 59637807

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
SMILESC=CCCCC1CC([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12
InChIInChI=1S/C29H38Si/c1-4-5-6-13-21-20-28(25-17-10-7-14-22(21)25)30(2,3)29-26-18-11-8-15-23(26)24-16-9-12-19-27(24)29/h4,7-12,14-19,21-29H,1,5-6,13,20H2,2-3H3
InChIKeyWQUHNYRLHIDWIQ-UHFFFAOYSA-N
MW414.71 g/mol
LogP7.90
Rot. Bonds6

About 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (PubChem CID 59637807) has the molecular formula C29H38Si and a molecular weight of 414.71 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
PubChem CID59637807
Molecular FormulaC29H38Si
Molecular Weight414.71 g/mol
Exact Mass414.27
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
SMILESC=CCCCC1CC([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12
InChIInChI=1S/C29H38Si/c1-4-5-6-13-21-20-28(25-17-10-7-14-22(21)25)30(2,3)29-26-18-11-8-15-23(26)24-16-9-12-19-27(24)29/h4,7-12,14-19,21-29H,1,5-6,13,20H2,2-3H3
InChIKeyWQUHNYRLHIDWIQ-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.71
LogP ≤ 57.90
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (CID 59637807) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is C=CCCCC1CC([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The InChIKey is WQUHNYRLHIDWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38Si/c1-4-5-6-13-21-20-28(25-17-10-7-14-22(21)25)30(2,3)29-26-18-11-8-15-23(26)24-16-9-12-19-27(24)29/h4,7-12,14-19,21-29H,1,5-6,13,20H2,2-3H3.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane has a molecular weight of 414.71 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 59637807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).