8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol

C10H16O2 — CID 123935791

IUPAC8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol
SMILESCCC1C2C=CC(O)C1(C)CO2
InChIInChI=1S/C10H16O2/c1-3-7-8-4-5-9(11)10(7,2)6-12-8/h4-5,7-9,11H,3,6H2,1-2H3
InChIKeyWLIWCFDJOJPNNX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds1

About 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol

8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 123935791) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol
PubChem CID123935791
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol
SMILESCCC1C2C=CC(O)C1(C)CO2
InChIInChI=1S/C10H16O2/c1-3-7-8-4-5-9(11)10(7,2)6-12-8/h4-5,7-9,11H,3,6H2,1-2H3
InChIKeyWLIWCFDJOJPNNX-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.35
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

[3-(Hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 494715
3-[(2S)-5-tert-butyl-2-methyl-2H-furan-5-yl]but-3-en-2-ol
CID 134971769
[(1S,2S,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 10241040
(1S,4R,5R,6S)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 11805420
5,6-Dimethoxymethyl-7-oxanorbornene
CID 12161673
7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
CID 265092
[3-Ethyl-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 89307426
[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol
CID 11171173
[(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
(1R,4R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 135020119
(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 135026317

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol (CID 123935791) is 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol is CCC1C2C=CC(O)C1(C)CO2.
What is the InChIKey of 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is WLIWCFDJOJPNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-7-8-4-5-9(11)10(7,2)6-12-8/h4-5,7-9,11H,3,6H2,1-2H3.
What are the key properties of 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol?
8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-methyl-6-oxabicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 123935791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).