(1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol

C12H20O3 — CID 139053854

IUPAC(1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol
SMILESCO[C@@]12CCC[C@@H]1[C@@]1(O)[C@H](O)CCC[C@@H]21
InChIInChI=1S/C12H20O3/c1-15-11-7-3-5-9(11)12(14)8(11)4-2-6-10(12)13/h8-10,13-14H,2-7H2,1H3/t8-,9-,10+,11+,12+/m0/s1
InChIKeyDPJWGFBWPKTDEH-PREPNJAASA-N
MW212.29 g/mol
LogP1.08
Rot. Bonds1

About (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol

(1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol (PubChem CID 139053854) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol.

Molecular Properties

Compound Name(1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol
PubChem CID139053854
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol
SMILESCO[C@@]12CCC[C@@H]1[C@@]1(O)[C@H](O)CCC[C@@H]21
InChIInChI=1S/C12H20O3/c1-15-11-7-3-5-9(11)12(14)8(11)4-2-6-10(12)13/h8-10,13-14H,2-7H2,1H3/t8-,9-,10+,11+,12+/m0/s1
InChIKeyDPJWGFBWPKTDEH-PREPNJAASA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol with MolForge

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Related Compounds

[(1R,2R,7S,8R,9R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate;[(1S,2S,7R,8S,9S)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate
CID 139053699
[(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate
CID 177404230
cyclopentane-1,1,2-triol
CID 19830380
1,2,3,4,5,6,7,7a-octahydroindene-3a,4-diol
CID 13396648
1-trimethylsilylcyclopentane-1,2-diol
CID 78128825
trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
CID 130874578
cis-(1R,2R)-2-amino-2-methylcyclopentan-1-ol
CID 18659395
trans-(1S,3S)-2-trimethylsilylcyclohexane-1,2,3-triol
CID 10954683
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
(1S,8R,8aS)-4,4,8,8a-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene-1,8-diol
CID 101051820
trans-methyl (1S,2R)-2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 126686787

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol?
The IUPAC name of (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol (CID 139053854) is (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol.
What is the SMILES notation for (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol?
The canonical SMILES for (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol is CO[C@@]12CCC[C@@H]1[C@@]1(O)[C@H](O)CCC[C@@H]21.
What is the InChIKey of (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol?
The InChIKey is DPJWGFBWPKTDEH-PREPNJAASA-N. The full InChI is InChI=1S/C12H20O3/c1-15-11-7-3-5-9(11)12(14)8(11)4-2-6-10(12)13/h8-10,13-14H,2-7H2,1H3/t8-,9-,10+,11+,12+/m0/s1.
What are the key properties of (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol?
(1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol has a molecular weight of 212.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7R,11R)-6-methoxytricyclo[5.4.0.02,6]undecane-1,11-diol is sourced from PubChem (CID 139053854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).