2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol

C7H10O2 — CID 22020044

IUPAC2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol
SMILESOCC1=CC2CC1CO2
InChIInChI=1S/C7H10O2/c8-3-5-1-7-2-6(5)4-9-7/h1,6-8H,2-4H2
InChIKeyAMPCYMVWPXNEIR-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.32
Rot. Bonds1

About 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol

2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol (PubChem CID 22020044) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol.

Molecular Properties

Compound Name2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol
PubChem CID22020044
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol
SMILESOCC1=CC2CC1CO2
InChIInChI=1S/C7H10O2/c8-3-5-1-7-2-6(5)4-9-7/h1,6-8H,2-4H2
InChIKeyAMPCYMVWPXNEIR-UHFFFAOYSA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

((3Ar,4S,6Ar)-3,3A,4,6A-Tetrahydro-2H-Cyclopenta(B)Furan-4,5-Diyl)Dimethanol
CID 11084315
[(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol
CID 10535100
[5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
CID 14190908
(4aR,5S,7aS)-7-(hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol
CID 101260547
7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
CID 265092
[(3aS,4R,6aS)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
CID 101625375
7-(Hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-5-ol
CID 14413449
CID 20731265
CID 20731265
2-(7-Oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol
CID 20731266
[6-(Hydroxymethyl)-2-oxabicyclo[2.2.1]hept-5-en-5-yl]methanol
CID 22020037
Actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
CID 59046584
(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 60096038

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol?
The IUPAC name of 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol (CID 22020044) is 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol.
What is the SMILES notation for 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol?
The canonical SMILES for 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol is OCC1=CC2CC1CO2.
What is the InChIKey of 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol?
The InChIKey is AMPCYMVWPXNEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-3-5-1-7-2-6(5)4-9-7/h1,6-8H,2-4H2.
What are the key properties of 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol?
2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol has a molecular weight of 126.15 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.2.1]hept-5-en-5-ylmethanol is sourced from PubChem (CID 22020044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).