2-[(2R)-3-decoxyoxolan-2-yl]ethanol

C16H32O3 — CID 145103843

IUPAC2-[(2R)-3-decoxyoxolan-2-yl]ethanol
SMILESCCCCCCCCCCOC1CCO[C@@H]1CCO
InChIInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-13-18-16-11-14-19-15(16)10-12-17/h15-17H,2-14H2,1H3/t15-,16?/m1/s1
InChIKeyNZAANXPSJKTDOH-AAFJCEBUSA-N
MW272.43 g/mol
LogP3.68
Rot. Bonds12

About 2-[(2R)-3-decoxyoxolan-2-yl]ethanol

2-[(2R)-3-decoxyoxolan-2-yl]ethanol (PubChem CID 145103843) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-[(2R)-3-decoxyoxolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-3-decoxyoxolan-2-yl]ethanol
PubChem CID145103843
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name2-[(2R)-3-decoxyoxolan-2-yl]ethanol
SMILESCCCCCCCCCCOC1CCO[C@@H]1CCO
InChIInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-13-18-16-11-14-19-15(16)10-12-17/h15-17H,2-14H2,1H3/t15-,16?/m1/s1
InChIKeyNZAANXPSJKTDOH-AAFJCEBUSA-N
XLogP3.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-hexoxyoxolan-2-yl]ethanol
CID 145103841
1-(3-heptoxyoxolan-2-yl)ethanol;methane;propane-2,2-diol
CID 142954615
2-heptoxycyclohexan-1-ol
CID 18953012
hentetracontyl [(2R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 155649833
3-hexadecoxy-2-methyloxane
CID 67870408
6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol
CID 67872617
(2R)-2-decoxyoxan-3-ol
CID 164930030
2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol
CID 57083071
[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol
CID 166042635
ethanol;2-pentadecyloxetane
CID 68938646
heptoxycyclopropane
CID 54099544
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-decoxyoxolan-2-yl]ethanol?
The IUPAC name of 2-[(2R)-3-decoxyoxolan-2-yl]ethanol (CID 145103843) is 2-[(2R)-3-decoxyoxolan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-3-decoxyoxolan-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-3-decoxyoxolan-2-yl]ethanol is CCCCCCCCCCOC1CCO[C@@H]1CCO.
What is the InChIKey of 2-[(2R)-3-decoxyoxolan-2-yl]ethanol?
The InChIKey is NZAANXPSJKTDOH-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-13-18-16-11-14-19-15(16)10-12-17/h15-17H,2-14H2,1H3/t15-,16?/m1/s1.
What are the key properties of 2-[(2R)-3-decoxyoxolan-2-yl]ethanol?
2-[(2R)-3-decoxyoxolan-2-yl]ethanol has a molecular weight of 272.43 g/mol, XLogP of 3.68, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-decoxyoxolan-2-yl]ethanol is sourced from PubChem (CID 145103843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).