[(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C14H20O2 — CID 102483112

IUPAC[(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOC[C@@H]1[C@H](CO)[C@@H]2C=C[C@H]1C2=C1CCCC1
InChIInChI=1S/C14H20O2/c15-7-12-10-5-6-11(13(12)8-16)14(10)9-3-1-2-4-9/h5-6,10-13,15-16H,1-4,7-8H2/t10-,11+,12+,13-
InChIKeyNDBHWMLGIHNHPO-FNFFVJSTSA-N
MW220.31 g/mol
LogP1.89
Rot. Bonds2

About [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 102483112) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID102483112
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOC[C@@H]1[C@H](CO)[C@@H]2C=C[C@H]1C2=C1CCCC1
InChIInChI=1S/C14H20O2/c15-7-12-10-5-6-11(13(12)8-16)14(10)9-3-1-2-4-9/h5-6,10-13,15-16H,1-4,7-8H2/t10-,11+,12+,13-
InChIKeyNDBHWMLGIHNHPO-FNFFVJSTSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.89
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

(1R,2R,6S,7S)-4-benzyl-10-cyclohexylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 974004
(1R,2R,6S,7R)-4-(4-chlorophenyl)-10-cyclohexylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 19915826
(1S,2S,6S,7S)-10-cyclohexylidene-4-(4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98154463
(1R,2S,6R,7R)-10-cyclopentylidene-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98171836
[(1S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 23555960
(1R,2S,6S,7R)-10-cyclohexylidene-4-(3,4-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306323
(1S,2S,6R,7S)-10-cyclopentylidene-4-(2,5-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23351443
(1R,2S,6S,7R)-10-cyclohexylidene-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306322
1-(2-hydroxy-2-methylpropyl)-2,3,4,5,6,7-hexahydro-1H-inden-2-ol
CID 584088
[(1S,2R,5R,6S,7S,8R)-8-(hydroxymethyl)-7-tricyclo[4.2.2.02,5]deca-3,9-dienyl]methanol
CID 98503945
4-cyclohexylidenebutan-1-ol
CID 557018
6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene
CID 142973100

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 102483112) is [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is OC[C@@H]1[C@H](CO)[C@@H]2C=C[C@H]1C2=C1CCCC1.
What is the InChIKey of [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is NDBHWMLGIHNHPO-FNFFVJSTSA-N. The full InChI is InChI=1S/C14H20O2/c15-7-12-10-5-6-11(13(12)8-16)14(10)9-3-1-2-4-9/h5-6,10-13,15-16H,1-4,7-8H2/t10-,11+,12+,13-.
What are the key properties of [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 220.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S,4R)-7-cyclopentylidene-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 102483112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).