3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol

C9H14O2 — CID 153276818

IUPAC3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol
SMILESCC(C)(C)C#CC1(O)COC1
InChIInChI=1S/C9H14O2/c1-8(2,3)4-5-9(10)6-11-7-9/h10H,6-7H2,1-3H3
InChIKeyKSBJPXWIUNBRFM-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.80
Rot. Bonds

About 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol

3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol (PubChem CID 153276818) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol
PubChem CID153276818
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol
SMILESCC(C)(C)C#CC1(O)COC1
InChIInChI=1S/C9H14O2/c1-8(2,3)4-5-9(10)6-11-7-9/h10H,6-7H2,1-3H3
InChIKeyKSBJPXWIUNBRFM-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-trimethylsilylethynyl)oxetan-3-ol
CID 66687388
1-(3,3-dimethylbut-1-ynyl)cyclobutan-1-ol;2-(3,3-dimethylbut-1-ynyl)spiro[3.3]heptan-2-ol
CID 158679716
1-[4-(3,3-dimethylbut-1-ynyl)-4-hydroxypiperidin-1-yl]ethanone
CID 156630164
methyl 3-(3-hydroxyoxetan-3-yl)prop-2-ynoate
CID 130307216
3-(2-aminopropan-2-yl)oxetan-3-ol
CID 155291014
3-(3,3-dimethylbut-1-ynyl)-3-methoxyazetidine
CID 156630102
1-(5,5-dimethylhexa-1,3-diynyl)-3-(hydroxymethyl)cyclobutan-1-ol
CID 140823546
tert-butyl 4-(3,3-dimethylbut-1-ynyl)-4-hydroxypiperidine-1-carboxylate;4-(3,3-dimethylbut-1-ynyl)piperidin-4-ol
CID 170609123
ethane;3-fluoro-3-prop-1-ynyloxetane
CID 156648033
1-chloro-3,3-dimethylbut-1-yne
CID 11423579
1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile
CID 116874610
3-(methylamino)oxetan-3-ol
CID 123559940

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol?
The IUPAC name of 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol (CID 153276818) is 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol.
What is the SMILES notation for 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol?
The canonical SMILES for 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol is CC(C)(C)C#CC1(O)COC1.
What is the InChIKey of 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol?
The InChIKey is KSBJPXWIUNBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(2,3)4-5-9(10)6-11-7-9/h10H,6-7H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol?
3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol has a molecular weight of 154.21 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbut-1-ynyl)oxetan-3-ol is sourced from PubChem (CID 153276818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).