4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol

C20H40O2Si — CID 10427395

IUPAC4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCCCC(=CCCCO)CCCC1
InChIInChI=1S/C20H40O2Si/c1-20(2,3)23(4,5)22-19-15-8-6-12-18(13-7-9-16-19)14-10-11-17-21/h14,19,21H,6-13,15-17H2,1-5H3/b18-14-
InChIKeyHIDJEITZUDDKDN-JXAWBTAJSA-N
MW340.62 g/mol
LogP6.21
Rot. Bonds5

About 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol

4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol (PubChem CID 10427395) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol.

Molecular Properties

Compound Name4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol
PubChem CID10427395
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCCCC(=CCCCO)CCCC1
InChIInChI=1S/C20H40O2Si/c1-20(2,3)23(4,5)22-19-15-8-6-12-18(13-7-9-16-19)14-10-11-17-21/h14,19,21H,6-13,15-17H2,1-5H3/b18-14-
InChIKeyHIDJEITZUDDKDN-JXAWBTAJSA-N
XLogP6.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol?
The IUPAC name of 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol (CID 10427395) is 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol.
What is the SMILES notation for 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol?
The canonical SMILES for 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol is CC(C)(C)[Si](C)(C)OC1CCCCC(=CCCCO)CCCC1.
What is the InChIKey of 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol?
The InChIKey is HIDJEITZUDDKDN-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-20(2,3)23(4,5)22-19-15-8-6-12-18(13-7-9-16-19)14-10-11-17-21/h14,19,21H,6-13,15-17H2,1-5H3/b18-14-.
What are the key properties of 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol?
4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol has a molecular weight of 340.62 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol is sourced from PubChem (CID 10427395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).