4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol

C18H34O2Si — CID 66993804

IUPAC4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
SMILESCCCCC1(C(C#CCO)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H34O2Si/c1-7-8-12-18(13-10-14-18)16(11-9-15-19)20-21(5,6)17(2,3)4/h16,19H,7-8,10,12-15H2,1-6H3
InChIKeyZWGGOGINHNLQMM-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.73
Rot. Bonds6

About 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol

4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol (PubChem CID 66993804) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol.

Molecular Properties

Compound Name4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
PubChem CID66993804
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
SMILESCCCCC1(C(C#CCO)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H34O2Si/c1-7-8-12-18(13-10-14-18)16(11-9-15-19)20-21(5,6)17(2,3)4/h16,19H,7-8,10,12-15H2,1-6H3
InChIKeyZWGGOGINHNLQMM-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[1-(1-propylcyclobutyl)but-3-ynoxy]silane
CID 15475299
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
CID 67102119
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
CID 86745388
[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane
CID 129404613
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512
1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 54306538
(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 20565049
tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
CID 71377830
6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol
CID 10612795
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol?
The IUPAC name of 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol (CID 66993804) is 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol.
What is the SMILES notation for 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol?
The canonical SMILES for 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol is CCCCC1(C(C#CCO)O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol?
The InChIKey is ZWGGOGINHNLQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-7-8-12-18(13-10-14-18)16(11-9-15-19)20-21(5,6)17(2,3)4/h16,19H,7-8,10,12-15H2,1-6H3.
What are the key properties of 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol?
4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol has a molecular weight of 310.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol is sourced from PubChem (CID 66993804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).