2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol

C10H18O3 — CID 118482982

IUPAC2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol
SMILESC=C(CC1(CC)COC1)OCCO
InChIInChI=1S/C10H18O3/c1-3-10(7-12-8-10)6-9(2)13-5-4-11/h11H,2-8H2,1H3
InChIKeyHLJZMTWGQHLQHA-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.33
Rot. Bonds6

About 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol

2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol (PubChem CID 118482982) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol
PubChem CID118482982
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol
SMILESC=C(CC1(CC)COC1)OCCO
InChIInChI=1S/C10H18O3/c1-3-10(7-12-8-10)6-9(2)13-5-4-11/h11H,2-8H2,1H3
InChIKeyHLJZMTWGQHLQHA-UHFFFAOYSA-N
XLogP1.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol?
The IUPAC name of 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol (CID 118482982) is 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol.
What is the SMILES notation for 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol?
The canonical SMILES for 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol is C=C(CC1(CC)COC1)OCCO.
What is the InChIKey of 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol?
The InChIKey is HLJZMTWGQHLQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-10(7-12-8-10)6-9(2)13-5-4-11/h11H,2-8H2,1H3.
What are the key properties of 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol?
2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol has a molecular weight of 186.25 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol is sourced from PubChem (CID 118482982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).