6-bicyclo[3.2.1]oct-2-enylmethanol

C9H14O — CID 130151844

IUPAC6-bicyclo[3.2.1]oct-2-enylmethanol
SMILESOCC1CC2C=CCC1C2
InChIInChI=1S/C9H14O/c10-6-9-5-7-2-1-3-8(9)4-7/h1-2,7-10H,3-6H2
InChIKeyWQUWGHBWICGPRB-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds1

About 6-bicyclo[3.2.1]oct-2-enylmethanol

6-bicyclo[3.2.1]oct-2-enylmethanol (PubChem CID 130151844) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-bicyclo[3.2.1]oct-2-enylmethanol.

Molecular Properties

Compound Name6-bicyclo[3.2.1]oct-2-enylmethanol
PubChem CID130151844
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-bicyclo[3.2.1]oct-2-enylmethanol
SMILESOCC1CC2C=CCC1C2
InChIInChI=1S/C9H14O/c10-6-9-5-7-2-1-3-8(9)4-7/h1-2,7-10H,3-6H2
InChIKeyWQUWGHBWICGPRB-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[3.2.1]oct-2-ene-6-carboxylic acid
CID 45084765
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
2-bicyclo[2.2.1]hept-5-enylmethanol;cyclopenta-1,3-diene;prop-2-en-1-ol
CID 158818831
[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]methanol
CID 11863585
(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol
CID 10583053
(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 131196259
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
2-bicyclo[2.2.1]hept-5-enylmethanol;hydroperoxyethane
CID 87177397
6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene
CID 163997732
(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol
CID 11094632
[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol
CID 129405394
[3-fluoro-4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
CID 23215678

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.2.1]oct-2-enylmethanol?
The IUPAC name of 6-bicyclo[3.2.1]oct-2-enylmethanol (CID 130151844) is 6-bicyclo[3.2.1]oct-2-enylmethanol.
What is the SMILES notation for 6-bicyclo[3.2.1]oct-2-enylmethanol?
The canonical SMILES for 6-bicyclo[3.2.1]oct-2-enylmethanol is OCC1CC2C=CCC1C2.
What is the InChIKey of 6-bicyclo[3.2.1]oct-2-enylmethanol?
The InChIKey is WQUWGHBWICGPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-6-9-5-7-2-1-3-8(9)4-7/h1-2,7-10H,3-6H2.
What are the key properties of 6-bicyclo[3.2.1]oct-2-enylmethanol?
6-bicyclo[3.2.1]oct-2-enylmethanol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.2.1]oct-2-enylmethanol is sourced from PubChem (CID 130151844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).