(1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol

C15H26O3 — CID 177439801

IUPAC(1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol
SMILESCC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2O
InChIInChI=1S/C15H26O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8-13,16-17H,5-7H2,1-4H3/t9-,10-,11-,12-,13+,14+,15-/m0/s1
InChIKeyRQYWJVJADBZVLW-CNBXDPTCSA-N
MW254.37 g/mol
LogP1.96
Rot. Bonds1

About (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol

(1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol (PubChem CID 177439801) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol.

Molecular Properties

Compound Name(1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol
PubChem CID177439801
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol
SMILESCC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2O
InChIInChI=1S/C15H26O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8-13,16-17H,5-7H2,1-4H3/t9-,10-,11-,12-,13+,14+,15-/m0/s1
InChIKeyRQYWJVJADBZVLW-CNBXDPTCSA-N
XLogP1.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol with MolForge

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Related Compounds

(1,5-dimethyl-10-oxo-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl) (E)-3-phenylbut-2-enoate;(10-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl) (E)-3-phenylbut-2-enoate
CID 159834876
(1S,2R,7R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol
CID 46919357
7-hydroxy-1,5-dimethyl-8-(2-methylpropyl)-11-oxatricyclo[6.2.1.02,6]undecan-10-one
CID 129213484
[(1S,2R,5S,6S,7R,8R,10R)-10-(2-hydroxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] 3-phenylprop-2-enoate
CID 162865883
(1,5-dimethyl-10-oxo-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl) (E)-3-phenylbut-2-enoate;7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one;(E)-3-phenylbut-2-enoic acid
CID 159185037
[(1S,2R,5R,6R,7S,10R)-10-(2-hydroxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 123808620
[10-[2-[bromo(methyl)amino]acetyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] 3-phenylprop-2-enoate
CID 123175221
(1R,2S,3R,4R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 124867138
(1S,2S,3R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 131857462
(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol
CID 177479202
(5-ethyl-10-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl) (E)-3-cyclohexylprop-2-enoate
CID 134467022
2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol
CID 130146858

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol?
The IUPAC name of (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol (CID 177439801) is (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol.
What is the SMILES notation for (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol?
The canonical SMILES for (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol is CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2O.
What is the InChIKey of (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol?
The InChIKey is RQYWJVJADBZVLW-CNBXDPTCSA-N. The full InChI is InChI=1S/C15H26O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8-13,16-17H,5-7H2,1-4H3/t9-,10-,11-,12-,13+,14+,15-/m0/s1.
What are the key properties of (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol?
(1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol has a molecular weight of 254.37 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol is sourced from PubChem (CID 177439801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).