[(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol

C10H14O2 — CID 130763782

IUPAC[(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol
SMILESCO[C@@]12[C@H]3[C@@H](CO)C[C@@H]1C=C[C@H]32
InChIInChI=1S/C10H14O2/c1-12-10-7-2-3-8(10)9(10)6(4-7)5-11/h2-3,6-9,11H,4-5H2,1H3/t6-,7+,8-,9+,10+/m1/s1
InChIKeyJDGBCXMLMPSABJ-KGDYZURWSA-N
MW166.22 g/mol
LogP0.82
Rot. Bonds2

About [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol

[(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol (PubChem CID 130763782) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol
PubChem CID130763782
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name[(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol
SMILESCO[C@@]12[C@H]3[C@@H](CO)C[C@@H]1C=C[C@H]32
InChIInChI=1S/C10H14O2/c1-12-10-7-2-3-8(10)9(10)6(4-7)5-11/h2-3,6-9,11H,4-5H2,1H3/t6-,7+,8-,9+,10+/m1/s1
InChIKeyJDGBCXMLMPSABJ-KGDYZURWSA-N
XLogP0.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol with MolForge

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Related Compounds

(1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol
CID 72789571
(1R,4R,5R,7R)-5-(hydroxymethyl)-7-prop-2-enylbicyclo[2.2.1]hept-2-en-7-ol
CID 71476228
(1S,2R,4S,7R,8R,9R,11S)-3,9,11-trimethoxytetracyclo[6.3.0.02,4.03,7]undec-5-ene
CID 177485300
(2R)-2-amino-2-[(1R,2R,4R)-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl]propan-1-ol
CID 102058880
(2S)-2-amino-2-[(1S,2S,4S)-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl]propan-1-ol
CID 102058881
[(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol
CID 131003552
4-tricyclo[4.2.0.01,3]oct-7-enylmethanol
CID 54301959
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
(1R,4R,5S)-4-(dimethoxymethyl)-5-(hydroxymethyl)cyclohexane-1,2-diol
CID 156856968
[(1S,2S,4S)-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl] butanoate
CID 14290500
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol?
The IUPAC name of [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol (CID 130763782) is [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol.
What is the SMILES notation for [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol?
The canonical SMILES for [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol is CO[C@@]12[C@H]3[C@@H](CO)C[C@@H]1C=C[C@H]32.
What is the InChIKey of [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol?
The InChIKey is JDGBCXMLMPSABJ-KGDYZURWSA-N. The full InChI is InChI=1S/C10H14O2/c1-12-10-7-2-3-8(10)9(10)6(4-7)5-11/h2-3,6-9,11H,4-5H2,1H3/t6-,7+,8-,9+,10+/m1/s1.
What are the key properties of [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol?
[(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol has a molecular weight of 166.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S,5R,8R)-1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl]methanol is sourced from PubChem (CID 130763782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).