2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol

C12H20O — CID 164650747

IUPAC2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol
SMILESCCCC(C)C1(O)CC2C=CC1C2
InChIInChI=1S/C12H20O/c1-3-4-9(2)12(13)8-10-5-6-11(12)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyXFQFQLSAPXJGNE-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.75
Rot. Bonds3

About 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol

2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 164650747) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol
PubChem CID164650747
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol
SMILESCCCC(C)C1(O)CC2C=CC1C2
InChIInChI=1S/C12H20O/c1-3-4-9(2)12(13)8-10-5-6-11(12)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyXFQFQLSAPXJGNE-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.75
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

2-pentan-3-ylbicyclo[2.2.1]hept-5-en-2-ol
CID 164650746
5-chloro-5-propylbicyclo[2.2.1]hept-2-ene
CID 21396934
5,5-dibutylbicyclo[2.2.1]hept-2-ene
CID 21426205
(2-butyl-2-bicyclo[2.2.1]hept-5-enyl)methanol
CID 139996139
(1R,2R,4R)-2-(2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130934634
2-aminobicyclo[2.2.1]hept-5-en-2-ol
CID 89311191
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
CID 107892837
ethyl 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 69241051
N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine
CID 67593437
3-fluoro-3-pentan-2-ylcyclobutan-1-amine
CID 107889771
[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 15193955
2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
CID 91139857

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol (CID 164650747) is 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol is CCCC(C)C1(O)CC2C=CC1C2.
What is the InChIKey of 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is XFQFQLSAPXJGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-9(2)12(13)8-10-5-6-11(12)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol?
2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 164650747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).