(4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol

C9H14O3 — CID 90832799

IUPAC(4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol
SMILESC=CC1=CC(CO)OC1OCC
InChIInChI=1S/C9H14O3/c1-3-7-5-8(6-10)12-9(7)11-4-2/h3,5,8-10H,1,4,6H2,2H3
InChIKeyNAWUJEZQPSXODI-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds4

About (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol

(4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol (PubChem CID 90832799) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol.

Molecular Properties

Compound Name(4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol
PubChem CID90832799
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol
SMILESC=CC1=CC(CO)OC1OCC
InChIInChI=1S/C9H14O3/c1-3-7-5-8(6-10)12-9(7)11-4-2/h3,5,8-10H,1,4,6H2,2H3
InChIKeyNAWUJEZQPSXODI-UHFFFAOYSA-N
XLogP0.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methanol
CID 13011793
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 46186038
(2R,4E,6E)-5-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-diene-1,2-diol
CID 102050110
rac-2-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-5-yl)ethan-1-ol
CID 121233009
rac-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-5-yl)methanol
CID 121233015
(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol
CID 129322527
(S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol
CID 134893682
(Z)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol
CID 134982544
(E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol
CID 134995178
2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
CID 85247166
(2R,3S,6S)-2-(hydroxymethyl)-6-[(3E)-4-methylhexa-3,5-dienoxy]-3,6-dihydro-2H-pyran-3-ol
CID 101057590

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol?
The IUPAC name of (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol (CID 90832799) is (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol.
What is the SMILES notation for (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol?
The canonical SMILES for (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol is C=CC1=CC(CO)OC1OCC.
What is the InChIKey of (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol?
The InChIKey is NAWUJEZQPSXODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-7-5-8(6-10)12-9(7)11-4-2/h3,5,8-10H,1,4,6H2,2H3.
What are the key properties of (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol?
(4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol has a molecular weight of 170.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol is sourced from PubChem (CID 90832799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).