2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol

C11H18O — CID 154091556

IUPAC2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol
SMILESC#CC(C)(O)C1CC(C)C1(C)C
InChIInChI=1S/C11H18O/c1-6-11(5,12)9-7-8(2)10(9,3)4/h1,8-9,12H,7H2,2-5H3
InChIKeyVTRUVLKHEKDXTJ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.05
Rot. Bonds1

About 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol

2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol (PubChem CID 154091556) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol.

Molecular Properties

Compound Name2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol
PubChem CID154091556
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol
SMILESC#CC(C)(O)C1CC(C)C1(C)C
InChIInChI=1S/C11H18O/c1-6-11(5,12)9-7-8(2)10(9,3)4/h1,8-9,12H,7H2,2-5H3
InChIKeyVTRUVLKHEKDXTJ-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S,5S,10S,13S,17S)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]but-3-yn-2-ol
CID 54596787
trans-(3S,5S)-4,4,5-trimethylcyclohexane-1,3-diol
CID 118049120
(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol
CID 11558462
2-(2,4,4-trimethylcyclohex-2-en-1-yl)but-3-yn-2-ol
CID 23350222
(2R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]but-3-yn-2-ol
CID 58100326
2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
CID 137368500
actinium;2-methylbut-3-yn-2-ol
CID 22980385
2-(2,2,3-trimethylcyclobutyl)butan-2-ylsulfanylbenzene
CID 142421275
(2S)-2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol;sulfane
CID 167598159
2,2-dimethyl-1-[(1R,2S)-2-methylcyclopropyl]but-3-yn-1-one
CID 89071277
trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane
CID 162732695
(3R)-3,4,4-trimethylpent-1-yn-3-ol
CID 6994055

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol?
The IUPAC name of 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol (CID 154091556) is 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol.
What is the SMILES notation for 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol?
The canonical SMILES for 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol is C#CC(C)(O)C1CC(C)C1(C)C.
What is the InChIKey of 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol?
The InChIKey is VTRUVLKHEKDXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-6-11(5,12)9-7-8(2)10(9,3)4/h1,8-9,12H,7H2,2-5H3.
What are the key properties of 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol?
2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol is sourced from PubChem (CID 154091556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).