(1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol

C10H18O3 — CID 139089673

IUPAC(1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol
SMILESC[C@@]12CC[C@H](O)[C@@](C)(O1)[C@](C)(O)C2
InChIInChI=1S/C10H18O3/c1-8-5-4-7(11)10(3,13-8)9(2,12)6-8/h7,11-12H,4-6H2,1-3H3/t7-,8-,9+,10+/m0/s1
InChIKeyCFXUVAZMKAAHST-AXTSPUMRSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds

About (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol

(1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol (PubChem CID 139089673) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol.

Molecular Properties

Compound Name(1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol
PubChem CID139089673
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol
SMILESC[C@@]12CC[C@H](O)[C@@](C)(O1)[C@](C)(O)C2
InChIInChI=1S/C10H18O3/c1-8-5-4-7(11)10(3,13-8)9(2,12)6-8/h7,11-12H,4-6H2,1-3H3/t7-,8-,9+,10+/m0/s1
InChIKeyCFXUVAZMKAAHST-AXTSPUMRSA-N
XLogP0.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol?
The IUPAC name of (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol (CID 139089673) is (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol.
What is the SMILES notation for (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol?
The canonical SMILES for (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol is C[C@@]12CC[C@H](O)[C@@](C)(O1)[C@](C)(O)C2.
What is the InChIKey of (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol?
The InChIKey is CFXUVAZMKAAHST-AXTSPUMRSA-N. The full InChI is InChI=1S/C10H18O3/c1-8-5-4-7(11)10(3,13-8)9(2,12)6-8/h7,11-12H,4-6H2,1-3H3/t7-,8-,9+,10+/m0/s1.
What are the key properties of (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol?
(1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol has a molecular weight of 186.25 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,7R)-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octane-2,7-diol is sourced from PubChem (CID 139089673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).