(1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol

C11H18O2 — CID 22726578

IUPAC(1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol
SMILESCC1O[C@@H](O)CC2C1[C@@H]1CC[C@@H]2C1
InChIInChI=1S/C11H18O2/c1-6-11-8-3-2-7(4-8)9(11)5-10(12)13-6/h6-12H,2-5H2,1H3/t6?,7-,8-,9?,10-,11?/m1/s1
InChIKeyXIILHBLEUQECFE-JPIIDPGWSA-N
MW182.26 g/mol
LogP1.78
Rot. Bonds

About (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol

(1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol (PubChem CID 22726578) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol.

Molecular Properties

Compound Name(1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol
PubChem CID22726578
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol
SMILESCC1O[C@@H](O)CC2C1[C@@H]1CC[C@@H]2C1
InChIInChI=1S/C11H18O2/c1-6-11-8-3-2-7(4-8)9(11)5-10(12)13-6/h6-12H,2-5H2,1H3/t6?,7-,8-,9?,10-,11?/m1/s1
InChIKeyXIILHBLEUQECFE-JPIIDPGWSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol with MolForge

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Related Compounds

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CID 124812816
4-chlorotricyclo[5.2.1.02,6]decan-3-ol
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3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane
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3-methyl-4-oxatricyclo[5.2.1.02,6]decane;4-methyl-3-oxatricyclo[5.2.1.02,6]decane
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CID 169044740
(1S,2S,3R,6S,7S)-tricyclo[5.2.1.02,6]decan-3-ol
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CID 6543736
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol?
The IUPAC name of (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol (CID 22726578) is (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol.
What is the SMILES notation for (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol?
The canonical SMILES for (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol is CC1O[C@@H](O)CC2C1[C@@H]1CC[C@@H]2C1.
What is the InChIKey of (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol?
The InChIKey is XIILHBLEUQECFE-JPIIDPGWSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-11-8-3-2-7(4-8)9(11)5-10(12)13-6/h6-12H,2-5H2,1H3/t6?,7-,8-,9?,10-,11?/m1/s1.
What are the key properties of (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol?
(1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol has a molecular weight of 182.26 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol is sourced from PubChem (CID 22726578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).