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

C15H26O3 — CID 46243138

IUPAC(1S,2R,5R,6R,7S,8R,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-/m1/s1
InChIKeyRQYWJVJADBZVLW-VBNHKQTDSA-N
MW254.37 g/mol
LogP1.96
Rot. Bonds1

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

(1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol (PubChem CID 46243138) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol.

Molecular Properties

Compound Name(1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol
PubChem CID46243138
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,2R,5R,6R,7S,8R,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-/m1/s1
InChIKeyRQYWJVJADBZVLW-VBNHKQTDSA-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 (1S,2R,5R,6R,7S,8R,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

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2-[(1R,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol
CID 21581813
(1R,2R,3S,6R,7R,8S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-3,8-diol
CID 101621382
Homalomenol D
CID 101712280
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Orientalol E
CID 637282
(2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol
CID 44559650
(1S,2S,5R,6S,7S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 11402170
1,5-Dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5,7-diol
CID 78200744
(3S)-2-methyl-5-[(1R,3S,4S,7R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]pentane-2,3-diol
CID 163008999

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol?
The IUPAC name of (1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol (CID 46243138) is (1S,2R,5R,6R,7S,8R,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 (1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol?
The canonical SMILES for (1S,2R,5R,6R,7S,8R,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 (1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol?
The InChIKey is RQYWJVJADBZVLW-VBNHKQTDSA-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-/m1/s1.
What are the key properties of (1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol?
(1S,2R,5R,6R,7S,8R,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 (1S,2R,5R,6R,7S,8R,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol is sourced from PubChem (CID 46243138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).