ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane

C15H26OSi — CID 11651729

IUPACethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
SMILESC#C[Si](O[C@H](C=C)/C(C)=C/C)(C(C)C)C(C)C
InChIInChI=1S/C15H26OSi/c1-9-14(8)15(10-2)16-17(11-3,12(4)5)13(6)7/h3,9-10,12-13,15H,2H2,1,4-8H3/b14-9+/t15-/m1/s1
InChIKeyMCZWLLDMRLZBEJ-AAWPKVBNSA-N
MW250.46 g/mol
LogP4.46
Rot. Bonds6

About ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane

ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane (PubChem CID 11651729) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane.

Molecular Properties

Compound Nameethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
PubChem CID11651729
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Nameethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
SMILESC#C[Si](O[C@H](C=C)/C(C)=C/C)(C(C)C)C(C)C
InChIInChI=1S/C15H26OSi/c1-9-14(8)15(10-2)16-17(11-3,12(4)5)13(6)7/h3,9-10,12-13,15H,2H2,1,4-8H3/b14-9+/t15-/m1/s1
InChIKeyMCZWLLDMRLZBEJ-AAWPKVBNSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

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Ctk0J4668
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Frequently Asked Questions

What is the IUPAC name of ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane?
The IUPAC name of ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane (CID 11651729) is ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane.
What is the SMILES notation for ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane?
The canonical SMILES for ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane is C#C[Si](O[C@H](C=C)/C(C)=C/C)(C(C)C)C(C)C.
What is the InChIKey of ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane?
The InChIKey is MCZWLLDMRLZBEJ-AAWPKVBNSA-N. The full InChI is InChI=1S/C15H26OSi/c1-9-14(8)15(10-2)16-17(11-3,12(4)5)13(6)7/h3,9-10,12-13,15H,2H2,1,4-8H3/b14-9+/t15-/m1/s1.
What are the key properties of ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane?
ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane has a molecular weight of 250.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane is sourced from PubChem (CID 11651729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).