but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane

C45H60Si — CID 59637840

IUPACbut-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane
SMILESC=CCC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1
InChIInChI=1S/C45H60Si/c1-10-11-28-46(8,9)37-25-22-36(29-37)45(32-18-14-12-15-19-32,33-20-16-13-17-21-33)42-40-30-34(43(2,3)4)23-26-38(40)39-27-24-35(31-41(39)42)44(5,6)7/h10,12-21,23-24,26-27,30-31,36-42H,1,11,22,25,28-29H2,2-9H3
InChIKeyVFCLEQHIFZNXGA-UHFFFAOYSA-N
MW629.06 g/mol
LogP12.61
Rot. Bonds8

About but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane

but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane (PubChem CID 59637840) has the molecular formula C45H60Si and a molecular weight of 629.06 g/mol. Its IUPAC name is but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane.

Molecular Properties

Compound Namebut-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane
PubChem CID59637840
Molecular FormulaC45H60Si
Molecular Weight629.06 g/mol
Exact Mass628.45
IUPAC Namebut-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane
SMILESC=CCC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1
InChIInChI=1S/C45H60Si/c1-10-11-28-46(8,9)37-25-22-36(29-37)45(32-18-14-12-15-19-32,33-20-16-13-17-21-33)42-40-30-34(43(2,3)4)23-26-38(40)39-27-24-35(31-41(39)42)44(5,6)7/h10,12-21,23-24,26-27,30-31,36-42H,1,11,22,25,28-29H2,2-9H3
InChIKeyVFCLEQHIFZNXGA-UHFFFAOYSA-N
XLogP12.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.06
LogP ≤ 512.61
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'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane?
The IUPAC name of but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane (CID 59637840) is but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane.
What is the SMILES notation for but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane?
The canonical SMILES for but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane is C=CCC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.
What is the InChIKey of but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane?
The InChIKey is VFCLEQHIFZNXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H60Si/c1-10-11-28-46(8,9)37-25-22-36(29-37)45(32-18-14-12-15-19-32,33-20-16-13-17-21-33)42-40-30-34(43(2,3)4)23-26-38(40)39-27-24-35(31-41(39)42)44(5,6)7/h10,12-21,23-24,26-27,30-31,36-42H,1,11,22,25,28-29H2,2-9H3.
What are the key properties of but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane?
but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane has a molecular weight of 629.06 g/mol, XLogP of 12.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane is sourced from PubChem (CID 59637840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).