[1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane

C18H38OSi3 — CID 134983042

IUPAC[1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(=C=C([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C18H38OSi3/c1-20(2,3)18(21(4,5)6)15-17(19-22(7,8)9)16-13-11-10-12-14-16/h16H,10-14H2,1-9H3
InChIKeyQKRRERUCEYSFKS-UHFFFAOYSA-N
MW354.76 g/mol
LogP6.58
Rot. Bonds5

About [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane

[1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane (PubChem CID 134983042) has the molecular formula C18H38OSi3 and a molecular weight of 354.76 g/mol. Its IUPAC name is [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane
PubChem CID134983042
Molecular FormulaC18H38OSi3
Molecular Weight354.76 g/mol
Exact Mass354.22
IUPAC Name[1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(=C=C([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C18H38OSi3/c1-20(2,3)18(21(4,5)6)15-17(19-22(7,8)9)16-13-11-10-12-14-16/h16H,10-14H2,1-9H3
InChIKeyQKRRERUCEYSFKS-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.76
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane?
The IUPAC name of [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane (CID 134983042) is [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane.
What is the SMILES notation for [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane?
The canonical SMILES for [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane is C[Si](C)(C)OC(=C=C([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane?
The InChIKey is QKRRERUCEYSFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38OSi3/c1-20(2,3)18(21(4,5)6)15-17(19-22(7,8)9)16-13-11-10-12-14-16/h16H,10-14H2,1-9H3.
What are the key properties of [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane?
[1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane has a molecular weight of 354.76 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-3,3-bis(trimethylsilyl)propa-1,2-dienoxy]-trimethylsilane is sourced from PubChem (CID 134983042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).