[methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane

C20H40O3Si2 — CID 134867160

IUPAC[methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane
SMILESCOC(O[Si](C)(C)C)=C1CCCCCCCCC/C=C\1O[Si](C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-21-20(23-25(5,6)7)18-16-14-12-10-8-9-11-13-15-17-19(18)22-24(2,3)4/h17H,8-16H2,1-7H3/b19-17+,20-18?
InChIKeyXOOBGWNLQWZZKY-KWNZBJHBSA-N
MW384.71 g/mol
LogP6.96
Rot. Bonds5

About [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane

[methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane (PubChem CID 134867160) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane
PubChem CID134867160
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Name[methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane
SMILESCOC(O[Si](C)(C)C)=C1CCCCCCCCC/C=C\1O[Si](C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-21-20(23-25(5,6)7)18-16-14-12-10-8-9-11-13-15-17-19(18)22-24(2,3)4/h17H,8-16H2,1-7H3/b19-17+,20-18?
InChIKeyXOOBGWNLQWZZKY-KWNZBJHBSA-N
XLogP6.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane?
The IUPAC name of [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane (CID 134867160) is [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane.
What is the SMILES notation for [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane?
The canonical SMILES for [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane is COC(O[Si](C)(C)C)=C1CCCCCCCCC/C=C\1O[Si](C)(C)C.
What is the InChIKey of [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane?
The InChIKey is XOOBGWNLQWZZKY-KWNZBJHBSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-21-20(23-25(5,6)7)18-16-14-12-10-8-9-11-13-15-17-19(18)22-24(2,3)4/h17H,8-16H2,1-7H3/b19-17+,20-18?.
What are the key properties of [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane?
[methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane has a molecular weight of 384.71 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-[(2E)-2-trimethylsilyloxycyclododec-2-en-1-ylidene]methoxy]-trimethylsilane is sourced from PubChem (CID 134867160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).