2-hexoxy-1-(oxolan-3-yl)ethanol

C12H24O3 — CID 104753611

IUPAC2-hexoxy-1-(oxolan-3-yl)ethanol
SMILESCCCCCCOCC(O)C1CCOC1
InChIInChI=1S/C12H24O3/c1-2-3-4-5-7-14-10-12(13)11-6-8-15-9-11/h11-13H,2-10H2,1H3
InChIKeyFLVRBAKJMYYXOL-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds8

About 2-hexoxy-1-(oxolan-3-yl)ethanol

2-hexoxy-1-(oxolan-3-yl)ethanol (PubChem CID 104753611) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-hexoxy-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-hexoxy-1-(oxolan-3-yl)ethanol
PubChem CID104753611
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-hexoxy-1-(oxolan-3-yl)ethanol
SMILESCCCCCCOCC(O)C1CCOC1
InChIInChI=1S/C12H24O3/c1-2-3-4-5-7-14-10-12(13)11-6-8-15-9-11/h11-13H,2-10H2,1H3
InChIKeyFLVRBAKJMYYXOL-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.98
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

N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
2-(oxetan-3-yloxy)-1-(oxolan-3-yl)ethanol
CID 102607300
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(hexan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890644
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 104753405
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-hexoxy-1-(oxolan-3-yl)ethanol (CID 104753611) is 2-hexoxy-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-hexoxy-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-hexoxy-1-(oxolan-3-yl)ethanol is CCCCCCOCC(O)C1CCOC1.
What is the InChIKey of 2-hexoxy-1-(oxolan-3-yl)ethanol?
The InChIKey is FLVRBAKJMYYXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-2-3-4-5-7-14-10-12(13)11-6-8-15-9-11/h11-13H,2-10H2,1H3.
What are the key properties of 2-hexoxy-1-(oxolan-3-yl)ethanol?
2-hexoxy-1-(oxolan-3-yl)ethanol has a molecular weight of 216.32 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104753611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).