2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol

C13H18O — CID 141120203

IUPAC2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol
SMILESOCC12C3C=CC(C3)C1C1CCC2C1
InChIInChI=1S/C13H18O/c14-7-13-10-3-1-8(5-10)12(13)9-2-4-11(13)6-9/h1,3,8-12,14H,2,4-7H2
InChIKeyIXXUBPLWNVVIKI-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.22
Rot. Bonds1

About 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol

2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol (PubChem CID 141120203) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol.

Molecular Properties

Compound Name2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol
PubChem CID141120203
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol
SMILESOCC12C3C=CC(C3)C1C1CCC2C1
InChIInChI=1S/C13H18O/c14-7-13-10-3-1-8(5-10)12(13)9-2-4-11(13)6-9/h1,3,8-12,14H,2,4-7H2
InChIKeyIXXUBPLWNVVIKI-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane
CID 152617048
(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
CID 110172348
(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 100922080
(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol
CID 147555988
dimethyl (1S,2R,3S,4S,5S,8R,9R,10R,11S,12R)-hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadec-6-ene-3,10-dicarboxylate
CID 10758670
(1R,2R,3S,4S)-3-(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131133850
[(1R,3R,4S)-3-[3-[(1R,2S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]cyclopentyl]-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 59062195
(2S,3R)-3-(hydroxymethyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130884529
[3-butyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 18761719
[(1S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 23555960
2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 85377571
[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol
CID 11499250

Frequently Asked Questions

What is the IUPAC name of 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol?
The IUPAC name of 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol (CID 141120203) is 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol.
What is the SMILES notation for 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol?
The canonical SMILES for 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol is OCC12C3C=CC(C3)C1C1CCC2C1.
What is the InChIKey of 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol?
The InChIKey is IXXUBPLWNVVIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c14-7-13-10-3-1-8(5-10)12(13)9-2-4-11(13)6-9/h1,3,8-12,14H,2,4-7H2.
What are the key properties of 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol?
2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol has a molecular weight of 190.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol is sourced from PubChem (CID 141120203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).