(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane

C21H32Si — CID 150383372

IUPAC(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane
SMILESCCCCCC1([SiH2]C2C3=CC=CCC3CC2C)C=CC=CC1
InChIInChI=1S/C21H32Si/c1-3-4-8-13-21(14-9-5-10-15-21)22-20-17(2)16-18-11-6-7-12-19(18)20/h5-7,9-10,12,14,17-18,20H,3-4,8,11,13,15-16,22H2,1-2H3
InChIKeyHAESWMCTMJUAIB-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.74
Rot. Bonds6

About (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane

(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane (PubChem CID 150383372) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane
PubChem CID150383372
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Name(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane
SMILESCCCCCC1([SiH2]C2C3=CC=CCC3CC2C)C=CC=CC1
InChIInChI=1S/C21H32Si/c1-3-4-8-13-21(14-9-5-10-15-21)22-20-17(2)16-18-11-6-7-12-19(18)20/h5-7,9-10,12,14,17-18,20H,3-4,8,11,13,15-16,22H2,1-2H3
InChIKeyHAESWMCTMJUAIB-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.74
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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Related Compounds

1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole
CID 123399072
[(E)-2-(2,3,3a,4,5,6-hexahydro-1H-inden-1-yl)ethenyl]-trimethylsilane
CID 10656582
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 17759945
tert-butyl-dimethyl-(4,5,6,7-tetrahydro-1H-inden-1-ylmethyl)silane
CID 17783004
tert-butyl-dimethyl-[(2-methyl-4,5,6,7-tetrahydro-1H-inden-1-yl)methyl]silane
CID 17783008
tert-butyl-dimethyl-[(1-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methyl]silane
CID 17783024
tert-butyl-dimethyl-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-1-yl)methyl]silane
CID 17783035
trimethyl(4,5,6,7-tetrahydro-1H-inden-1-ylmethyl)silane
CID 17783045
trimethyl-[(2-methyl-4,5,6,7-tetrahydro-1H-inden-1-yl)methyl]silane
CID 17783048
trimethyl-[(1-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methyl]silane
CID 17783061
ethyl-dimethyl-[(2-methyl-4,5,6,7-tetrahydro-1H-inden-1-yl)methyl]silane
CID 17783126
Tert-butyl-(1,2,4,5,6,7-hexahydroinden-2-id-1-ylmethyl)-dimethylsilane;carbanide;titanium(4+)
CID 17783134

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane?
The IUPAC name of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane (CID 150383372) is (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane.
What is the SMILES notation for (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane?
The canonical SMILES for (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane is CCCCCC1([SiH2]C2C3=CC=CCC3CC2C)C=CC=CC1.
What is the InChIKey of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane?
The InChIKey is HAESWMCTMJUAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si/c1-3-4-8-13-21(14-9-5-10-15-21)22-20-17(2)16-18-11-6-7-12-19(18)20/h5-7,9-10,12,14,17-18,20H,3-4,8,11,13,15-16,22H2,1-2H3.
What are the key properties of (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane?
(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane has a molecular weight of 312.57 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-(1-pentylcyclohexa-2,4-dien-1-yl)silane is sourced from PubChem (CID 150383372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).