2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane

C28H32Si — CID 10905361

IUPAC2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane
SMILESCC1=CC[C@H](C(C)C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32Si/c1-23-18-20-25(21-19-23)24(2)22-29(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-18,24-25H,19-22H2,1-2H3/t24?,25-/m0/s1
InChIKeyGCZLDUZXMWDTRQ-BBMPLOMVSA-N
MW396.65 g/mol
LogP5.54
Rot. Bonds6

About 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane

2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane (PubChem CID 10905361) has the molecular formula C28H32Si and a molecular weight of 396.65 g/mol. Its IUPAC name is 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane.

Molecular Properties

Compound Name2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane
PubChem CID10905361
Molecular FormulaC28H32Si
Molecular Weight396.65 g/mol
Exact Mass396.23
IUPAC Name2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane
SMILESCC1=CC[C@H](C(C)C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32Si/c1-23-18-20-25(21-19-23)24(2)22-29(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-18,24-25H,19-22H2,1-2H3/t24?,25-/m0/s1
InChIKeyGCZLDUZXMWDTRQ-BBMPLOMVSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane?
The IUPAC name of 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane (CID 10905361) is 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane.
What is the SMILES notation for 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane?
The canonical SMILES for 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane is CC1=CC[C@H](C(C)C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane?
The InChIKey is GCZLDUZXMWDTRQ-BBMPLOMVSA-N. The full InChI is InChI=1S/C28H32Si/c1-23-18-20-25(21-19-23)24(2)22-29(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-18,24-25H,19-22H2,1-2H3/t24?,25-/m0/s1.
What are the key properties of 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane?
2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane has a molecular weight of 396.65 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl-triphenylsilane is sourced from PubChem (CID 10905361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).