[(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane

C30H43N3OSi — CID 23563604

IUPAC[(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane
SMILESC=C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]([C@H](CC(CC)CC)N=[N+]=[N-])C1
InChIInChI=1S/C30H43N3OSi/c1-7-24(8-2)21-29(32-33-31)28-20-23(3)19-25(28)22-34-35(30(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,24-25,28-29H,3,7-8,19-22H2,1-2,4-6H3/t25-,28+,29-/m0/s1
InChIKeyVRSIKZWWANSWQF-OYFGVDPJSA-N
MW489.78 g/mol
LogP7.65
Rot. Bonds11

About [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane

[(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 23563604) has the molecular formula C30H43N3OSi and a molecular weight of 489.78 g/mol. Its IUPAC name is [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane
PubChem CID23563604
Molecular FormulaC30H43N3OSi
Molecular Weight489.78 g/mol
Exact Mass489.32
IUPAC Name[(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane
SMILESC=C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]([C@H](CC(CC)CC)N=[N+]=[N-])C1
InChIInChI=1S/C30H43N3OSi/c1-7-24(8-2)21-29(32-33-31)28-20-23(3)19-25(28)22-34-35(30(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,24-25,28-29H,3,7-8,19-22H2,1-2,4-6H3/t25-,28+,29-/m0/s1
InChIKeyVRSIKZWWANSWQF-OYFGVDPJSA-N
XLogP7.65
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.78
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 17758964
CID 17758964
CID 154709560
CID 154709560
CID 22885744
CID 22885744
CID 23563648
CID 23563648
CID 57757076
CID 57757076
CID 58842051
CID 58842051
CID 58905596
CID 58905596
CID 71199495
CID 71199495
CID 86621306
CID 86621306
CID 90079814
CID 90079814
CID 123249554
CID 123249554
CID 123316179
CID 123316179

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane (CID 23563604) is [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane is C=C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]([C@H](CC(CC)CC)N=[N+]=[N-])C1.
What is the InChIKey of [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is VRSIKZWWANSWQF-OYFGVDPJSA-N. The full InChI is InChI=1S/C30H43N3OSi/c1-7-24(8-2)21-29(32-33-31)28-20-23(3)19-25(28)22-34-35(30(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,24-25,28-29H,3,7-8,19-22H2,1-2,4-6H3/t25-,28+,29-/m0/s1.
What are the key properties of [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane?
[(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 489.78 g/mol, XLogP of 7.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(1S)-1-azido-3-ethylpentyl]-4-methylidenecyclopentyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 23563604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).