2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol

C13H24O2 — CID 114622710

IUPAC2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC1(C)CC(C(O)CC2CC2)C(C)(C)O1
InChIInChI=1S/C13H24O2/c1-12(2)8-10(13(3,4)15-12)11(14)7-9-5-6-9/h9-11,14H,5-8H2,1-4H3
InChIKeyJKKQYNTXEVSEAU-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds3

About 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol

2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (PubChem CID 114622710) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
PubChem CID114622710
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC1(C)CC(C(O)CC2CC2)C(C)(C)O1
InChIInChI=1S/C13H24O2/c1-12(2)8-10(13(3,4)15-12)11(14)7-9-5-6-9/h9-11,14H,5-8H2,1-4H3
InChIKeyJKKQYNTXEVSEAU-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxiranepentanol, gamma,3,3-trimethyl-
CID 98467
5-(Oxolan-2-ylmethyl)heptan-2-ol
CID 551274
5-Methyl-6-(oxolan-2-yl)hexan-2-ol
CID 3611923
3-(3-Methyloxolan-2-yl)propan-1-ol
CID 130129962
2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol
CID 126663004
(2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol
CID 157254615
3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol
CID 101477997
2-Methyl-4-(8-hydroxynonyl) tetrahydrofuran
CID 129727126
2-(5'-Methyl-2'-tetrahydro-furyl)-2-methylpentan-4-ol
CID 129787740
4-Ethoxy-6,10-dimethyl-decan-2-ol
CID 129812684
3-Methyl-5-(2,3,3-trimethyloxiran-2-yl)pentan-1-ol
CID 135064646
3,7-Dimethyl-1,3,6-octanetriol
CID 145865397

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The IUPAC name of 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (CID 114622710) is 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is CC1(C)CC(C(O)CC2CC2)C(C)(C)O1.
What is the InChIKey of 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The InChIKey is JKKQYNTXEVSEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)8-10(13(3,4)15-12)11(14)7-9-5-6-9/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is sourced from PubChem (CID 114622710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).