(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol

C9H16O2 — CID 134916437

IUPAC(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESC[C@@H]1C[C@H](C)C2CC[C@]1(O)O2
InChIInChI=1S/C9H16O2/c1-6-5-7(2)9(10)4-3-8(6)11-9/h6-8,10H,3-5H2,1-2H3/t6-,7+,8?,9-/m0/s1
InChIKeyOKQZMWDKVXPTHY-CUIKDFOKSA-N
MW156.22 g/mol
LogP1.53
Rot. Bonds

About (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol

(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol (PubChem CID 134916437) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
PubChem CID134916437
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESC[C@@H]1C[C@H](C)C2CC[C@]1(O)O2
InChIInChI=1S/C9H16O2/c1-6-5-7(2)9(10)4-3-8(6)11-9/h6-8,10H,3-5H2,1-2H3/t6-,7+,8?,9-/m0/s1
InChIKeyOKQZMWDKVXPTHY-CUIKDFOKSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The IUPAC name of (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol (CID 134916437) is (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol is C[C@@H]1C[C@H](C)C2CC[C@]1(O)O2.
What is the InChIKey of (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The InChIKey is OKQZMWDKVXPTHY-CUIKDFOKSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-5-7(2)9(10)4-3-8(6)11-9/h6-8,10H,3-5H2,1-2H3/t6-,7+,8?,9-/m0/s1.
What are the key properties of (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 134916437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).