[(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane

C14H26OSi — CID 176729582

IUPAC[(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane
SMILESCOC1(/C=C/C=C/[Si](C)(C)C)CCCCC1
InChIInChI=1S/C14H26OSi/c1-15-14(10-6-5-7-11-14)12-8-9-13-16(2,3)4/h8-9,12-13H,5-7,10-11H2,1-4H3/b12-8+,13-9+
InChIKeyHIIVOYWUIXXQCP-QHKWOANTSA-N
MW238.45 g/mol
LogP4.33
Rot. Bonds4

About [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane

[(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane (PubChem CID 176729582) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane
PubChem CID176729582
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name[(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane
SMILESCOC1(/C=C/C=C/[Si](C)(C)C)CCCCC1
InChIInChI=1S/C14H26OSi/c1-15-14(10-6-5-7-11-14)12-8-9-13-16(2,3)4/h8-9,12-13H,5-7,10-11H2,1-4H3/b12-8+,13-9+
InChIKeyHIIVOYWUIXXQCP-QHKWOANTSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane (CID 176729582) is [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane is COC1(/C=C/C=C/[Si](C)(C)C)CCCCC1.
What is the InChIKey of [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane?
The InChIKey is HIIVOYWUIXXQCP-QHKWOANTSA-N. The full InChI is InChI=1S/C14H26OSi/c1-15-14(10-6-5-7-11-14)12-8-9-13-16(2,3)4/h8-9,12-13H,5-7,10-11H2,1-4H3/b12-8+,13-9+.
What are the key properties of [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane?
[(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane has a molecular weight of 238.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-(1-methoxycyclohexyl)buta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 176729582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).