2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol

C8H12O2 — CID 20731266

IUPAC2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol
SMILESOCCC1CC2C=CC1O2
InChIInChI=1S/C8H12O2/c9-4-3-6-5-7-1-2-8(6)10-7/h1-2,6-9H,3-5H2
InChIKeySCHNLLJYVSJNLM-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.71
Rot. Bonds2

About 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol

2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol (PubChem CID 20731266) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol
PubChem CID20731266
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol
SMILESOCCC1CC2C=CC1O2
InChIInChI=1S/C8H12O2/c9-4-3-6-5-7-1-2-8(6)10-7/h1-2,6-9H,3-5H2
InChIKeySCHNLLJYVSJNLM-UHFFFAOYSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.71
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
[5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol
CID 14190908
[3-(Hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 494715
rac-(1R,2R,3S,5R,6S)-9-oxatricyclo[4.2.1.0,2,5]non-7-en-3-ol
CID 146049171
rac-(1R,2R,3R,5R,6S)-9-oxatricyclo[4.2.1.0,2,5]non-7-en-3-ol
CID 146049253
[(1S,2S,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 10241040
2,2,4,4,4-Pentafluoro-1-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)butane-1,3-diol
CID 21018012
7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
CID 265092
[(1R,2R,3R,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 12042021
[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 101628988
[(2R,3S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 90662643
[(3R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 363795

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol (CID 20731266) is 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol is OCCC1CC2C=CC1O2.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol?
The InChIKey is SCHNLLJYVSJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-4-3-6-5-7-1-2-8(6)10-7/h1-2,6-9H,3-5H2.
What are the key properties of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol?
2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol has a molecular weight of 140.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanol is sourced from PubChem (CID 20731266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).