1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene

C12H16O3 — CID 88788047

IUPAC1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene
SMILESC1=CC2OC12.C=CC(O)C1CCC2OC21
InChIInChI=1S/C8H12O2.C4H4O/c1-2-6(9)5-3-4-7-8(5)10-7;1-2-4-3(1)5-4/h2,5-9H,1,3-4H2;1-4H
InChIKeyGZXCPCIQUPVVTP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.03
Rot. Bonds2

About 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene

1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene (PubChem CID 88788047) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene.

Molecular Properties

Compound Name1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene
PubChem CID88788047
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene
SMILESC1=CC2OC12.C=CC(O)C1CCC2OC21
InChIInChI=1S/C8H12O2.C4H4O/c1-2-6(9)5-3-4-7-8(5)10-7;1-2-4-3(1)5-4/h2,5-9H,1,3-4H2;1-4H
InChIKeyGZXCPCIQUPVVTP-UHFFFAOYSA-N
XLogP1.03
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]prop-2-en-1-ol
CID 130892049
2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde
CID 88891169
(2S)-2-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]propanoic acid
CID 57371256
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol
CID 130937613
trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid
CID 54436723
(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-en-1-ol
CID 102154260
1-(2-bicyclo[2.2.1]heptanyl)prop-2-en-1-ol
CID 115814815
1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol
CID 174799868
1-(1,3-dioxolan-2-yl)prop-2-en-1-ol
CID 70630757
(1S)-1-cyclohexylprop-2-en-1-ol
CID 11171021
[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate
CID 167090767
methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1S)-1-hydroxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 24879813

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene?
The IUPAC name of 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene (CID 88788047) is 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene.
What is the SMILES notation for 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene?
The canonical SMILES for 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene is C1=CC2OC12.C=CC(O)C1CCC2OC21.
What is the InChIKey of 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene?
The InChIKey is GZXCPCIQUPVVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C4H4O/c1-2-6(9)5-3-4-7-8(5)10-7;1-2-4-3(1)5-4/h2,5-9H,1,3-4H2;1-4H.
What are the key properties of 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene?
1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene has a molecular weight of 208.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene is sourced from PubChem (CID 88788047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).