1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol

C19H36O2 — CID 173330404

IUPAC1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol
SMILESCCCCCCCCCCCC1CC1CC(O)C1CCO1
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-16-14-17(16)15-18(20)19-12-13-21-19/h16-20H,2-15H2,1H3
InChIKeyQHVNUUFUUWTMRC-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.08
Rot. Bonds13

About 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol

1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol (PubChem CID 173330404) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol.

Molecular Properties

Compound Name1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol
PubChem CID173330404
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol
SMILESCCCCCCCCCCCC1CC1CC(O)C1CCO1
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-16-14-17(16)15-18(20)19-12-13-21-19/h16-20H,2-15H2,1H3
InChIKeyQHVNUUFUUWTMRC-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-propyl-2-undecylcyclopropane
CID 123636027
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
4-hydroxy-5-(2-undecylcyclopropyl)pentanal
CID 173330405
3-pentyloxolan-2-ol
CID 13291787

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol?
The IUPAC name of 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol (CID 173330404) is 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol.
What is the SMILES notation for 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol?
The canonical SMILES for 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol is CCCCCCCCCCCC1CC1CC(O)C1CCO1.
What is the InChIKey of 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol?
The InChIKey is QHVNUUFUUWTMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-16-14-17(16)15-18(20)19-12-13-21-19/h16-20H,2-15H2,1H3.
What are the key properties of 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol?
1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol has a molecular weight of 296.50 g/mol, XLogP of 5.08, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol is sourced from PubChem (CID 173330404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).