3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane

C18H33N3O2Si — CID 140741538

IUPAC3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane
SMILESC=CCO[C@@H](CN=[N+]=[N-])COCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H33N3O2Si/c1-8-10-23-18(13-20-21-19)14-22-11-9-12-24(15(2)3,16(4)5)17(6)7/h8,15-18H,1,10-11,13-14H2,2-7H3/t18-/m0/s1
InChIKeyDZHOLPWPMDNAIC-SFHVURJKSA-N
MW351.57 g/mol
LogP5.11
Rot. Bonds11

About 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane

3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 140741538) has the molecular formula C18H33N3O2Si and a molecular weight of 351.57 g/mol. Its IUPAC name is 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane
PubChem CID140741538
Molecular FormulaC18H33N3O2Si
Molecular Weight351.57 g/mol
Exact Mass351.23
IUPAC Name3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane
SMILESC=CCO[C@@H](CN=[N+]=[N-])COCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H33N3O2Si/c1-8-10-23-18(13-20-21-19)14-22-11-9-12-24(15(2)3,16(4)5)17(6)7/h8,15-18H,1,10-11,13-14H2,2-7H3/t18-/m0/s1
InChIKeyDZHOLPWPMDNAIC-SFHVURJKSA-N
XLogP5.11
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane (CID 140741538) is 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane is C=CCO[C@@H](CN=[N+]=[N-])COCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is DZHOLPWPMDNAIC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H33N3O2Si/c1-8-10-23-18(13-20-21-19)14-22-11-9-12-24(15(2)3,16(4)5)17(6)7/h8,15-18H,1,10-11,13-14H2,2-7H3/t18-/m0/s1.
What are the key properties of 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane?
3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 351.57 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 140741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).