[4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol

C15H26O2Si — CID 10858431

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol
SMILESC#CC1(O[Si](C)(C)C(C)(C)C)CC=C(CO)CC1
InChIInChI=1S/C15H26O2Si/c1-7-15(10-8-13(12-16)9-11-15)17-18(5,6)14(2,3)4/h1,8,16H,9-12H2,2-6H3
InChIKeyNZXUKQJPFMHAFY-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.48
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol

[4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol (PubChem CID 10858431) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol
PubChem CID10858431
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol
SMILESC#CC1(O[Si](C)(C)C(C)(C)C)CC=C(CO)CC1
InChIInChI=1S/C15H26O2Si/c1-7-15(10-8-13(12-16)9-11-15)17-18(5,6)14(2,3)4/h1,8,16H,9-12H2,2-6H3
InChIKeyNZXUKQJPFMHAFY-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol (CID 10858431) is [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol is C#CC1(O[Si](C)(C)C(C)(C)C)CC=C(CO)CC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol?
The InChIKey is NZXUKQJPFMHAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-7-15(10-8-13(12-16)9-11-15)17-18(5,6)14(2,3)4/h1,8,16H,9-12H2,2-6H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol?
[4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol has a molecular weight of 266.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-4-ethynylcyclohexen-1-yl]methanol is sourced from PubChem (CID 10858431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).