2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol

C16H24O2 — CID 158818831

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol
SMILESC1=CCC=C1.C=CCO.OCC1CC2C=CC1C2
InChIInChI=1S/C8H12O.C5H6.C3H6O/c9-5-8-4-6-1-2-7(8)3-6;1-2-4-5-3-1;1-2-3-4/h1-2,6-9H,3-5H2;1-4H,5H2;2,4H,1,3H2
InChIKeyIVPMXGJRTQSRIX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol

2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol (PubChem CID 158818831) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol
PubChem CID158818831
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol
SMILESC1=CCC=C1.C=CCO.OCC1CC2C=CC1C2
InChIInChI=1S/C8H12O.C5H6.C3H6O/c9-5-8-4-6-1-2-7(8)3-6;1-2-4-5-3-1;1-2-3-4/h1-2,6-9H,3-5H2;1-4H,5H2;2,4H,1,3H2
InChIKeyIVPMXGJRTQSRIX-UHFFFAOYSA-N
XLogP2.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bicyclo[2.2.1]hept-5-enylmethanol;hydroperoxyethane
CID 87177397
3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2-dimethylpropanal;3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2-dimethylpropan-1-ol;5-(3-chloro-2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;cyclopenta-1,3-diene;2,2-dimethylpent-4-enal
CID 157359258
[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]methanol
CID 11863585
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
3-(2-bicyclo[2.2.1]hept-5-enyl)-2-oxopropanal
CID 57147896
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189
5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene
CID 59717872
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
CID 159408780
CID 159408780
CID 123207984
CID 123207984
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol (CID 158818831) is 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol is C1=CCC=C1.C=CCO.OCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol?
The InChIKey is IVPMXGJRTQSRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C5H6.C3H6O/c9-5-8-4-6-1-2-7(8)3-6;1-2-4-5-3-1;1-2-3-4/h1-2,6-9H,3-5H2;1-4H,5H2;2,4H,1,3H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol?
2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol is sourced from PubChem (CID 158818831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).