[(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane

C15H28Si — CID 135061516

IUPAC[(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane
SMILESC=C[C@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28Si/c1-9-15(8)10-11-16(12(2)3,13(4)5)14(6)7/h9,12-15H,1H2,2-8H3/t15-/m0/s1
InChIKeyRAJVIQCQRCFISO-HNNXBMFYSA-N
MW236.47 g/mol
LogP5.03
Rot. Bonds4

About [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane

[(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 135061516) has the molecular formula C15H28Si and a molecular weight of 236.47 g/mol. Its IUPAC name is [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane
PubChem CID135061516
Molecular FormulaC15H28Si
Molecular Weight236.47 g/mol
Exact Mass236.20
IUPAC Name[(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane
SMILESC=C[C@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28Si/c1-9-15(8)10-11-16(12(2)3,13(4)5)14(6)7/h9,12-15H,1H2,2-8H3/t15-/m0/s1
InChIKeyRAJVIQCQRCFISO-HNNXBMFYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.47
LogP ≤ 55.03
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane (CID 135061516) is [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane is C=C[C@H](C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is RAJVIQCQRCFISO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28Si/c1-9-15(8)10-11-16(12(2)3,13(4)5)14(6)7/h9,12-15H,1H2,2-8H3/t15-/m0/s1.
What are the key properties of [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane?
[(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 236.47 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpent-4-en-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 135061516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).