[(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol

C12H20O — CID 25023106

IUPAC[(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol
SMILESC=C[C@@H]1[C@H]2CC(CO)[C@H](C2)[C@@H]1CC
InChIInChI=1S/C12H20O/c1-3-10-8-5-9(7-13)12(6-8)11(10)4-2/h3,8-13H,1,4-7H2,2H3/t8-,9?,10+,11+,12-/m0/s1
InChIKeyQXZWOCQOJOQMRG-SRNJKDFUSA-N
MW180.29 g/mol
LogP2.46
Rot. Bonds3

About [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol

[(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 25023106) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID25023106
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name[(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol
SMILESC=C[C@@H]1[C@H]2CC(CO)[C@H](C2)[C@@H]1CC
InChIInChI=1S/C12H20O/c1-3-10-8-5-9(7-13)12(6-8)11(10)4-2/h3,8-13H,1,4-7H2,2H3/t8-,9?,10+,11+,12-/m0/s1
InChIKeyQXZWOCQOJOQMRG-SRNJKDFUSA-N
XLogP2.46
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 ≤ 52.46
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

[(1S,2S)-2-ethenylcyclopropyl]methanol
CID 10011846
[(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol
CID 102418566
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
CID 159961877
[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
CID 131848681
3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 130151853
(2-ethyl-4-methylcyclobutyl)methanol
CID 123868868
2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane
CID 143247210
7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane
CID 90755287
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
[(1R,2S,4R,6R,7R,8S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 121488643
3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
CID 23382653

Frequently Asked Questions

What is the IUPAC name of [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol (CID 25023106) is [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol is C=C[C@@H]1[C@H]2CC(CO)[C@H](C2)[C@@H]1CC.
What is the InChIKey of [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is QXZWOCQOJOQMRG-SRNJKDFUSA-N. The full InChI is InChI=1S/C12H20O/c1-3-10-8-5-9(7-13)12(6-8)11(10)4-2/h3,8-13H,1,4-7H2,2H3/t8-,9?,10+,11+,12-/m0/s1.
What are the key properties of [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol?
[(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 180.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 25023106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).