[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane

C23H34Si — CID 150218883

IUPAC[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane
SMILESCC1CC([SiH2]C2(CC3CCCCC3)C=CC=CC2)C2=CC=CCC21
InChIInChI=1S/C23H34Si/c1-18-16-22(21-13-7-6-12-20(18)21)24-23(14-8-3-9-15-23)17-19-10-4-2-5-11-19/h3,6-9,13-14,18-20,22H,2,4-5,10-12,15-17,24H2,1H3
InChIKeyFTBBDHHPOKJWMY-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.13
Rot. Bonds4

About [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane

[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane (PubChem CID 150218883) has the molecular formula C23H34Si and a molecular weight of 338.61 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane
PubChem CID150218883
Molecular FormulaC23H34Si
Molecular Weight338.61 g/mol
Exact Mass338.24
IUPAC Name[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane
SMILESCC1CC([SiH2]C2(CC3CCCCC3)C=CC=CC2)C2=CC=CCC21
InChIInChI=1S/C23H34Si/c1-18-16-22(21-13-7-6-12-20(18)21)24-23(14-8-3-9-15-23)17-19-10-4-2-5-11-19/h3,6-9,13-14,18-20,22H,2,4-5,10-12,15-17,24H2,1H3
InChIKeyFTBBDHHPOKJWMY-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane?
The IUPAC name of [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane (CID 150218883) is [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane.
What is the SMILES notation for [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane?
The canonical SMILES for [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane is CC1CC([SiH2]C2(CC3CCCCC3)C=CC=CC2)C2=CC=CCC21.
What is the InChIKey of [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane?
The InChIKey is FTBBDHHPOKJWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Si/c1-18-16-22(21-13-7-6-12-20(18)21)24-23(14-8-3-9-15-23)17-19-10-4-2-5-11-19/h3,6-9,13-14,18-20,22H,2,4-5,10-12,15-17,24H2,1H3.
What are the key properties of [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane?
[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane has a molecular weight of 338.61 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 150218883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).