(1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane

C10H18O — CID 102059130

IUPAC(1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane
SMILESCO[C@]1(C)CC[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H18O/c1-10(11-2)6-5-8-3-4-9(10)7-8/h8-9H,3-7H2,1-2H3/t8-,9-,10+/m0/s1
InChIKeySQGUDQKJBGWIIA-LPEHRKFASA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds1

About (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane

(1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane (PubChem CID 102059130) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane
PubChem CID102059130
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane
SMILESCO[C@]1(C)CC[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H18O/c1-10(11-2)6-5-8-3-4-9(10)7-8/h8-9H,3-7H2,1-2H3/t8-,9-,10+/m0/s1
InChIKeySQGUDQKJBGWIIA-LPEHRKFASA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane?
The IUPAC name of (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane (CID 102059130) is (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane.
What is the SMILES notation for (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane?
The canonical SMILES for (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane is CO[C@]1(C)CC[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane?
The InChIKey is SQGUDQKJBGWIIA-LPEHRKFASA-N. The full InChI is InChI=1S/C10H18O/c1-10(11-2)6-5-8-3-4-9(10)7-8/h8-9H,3-7H2,1-2H3/t8-,9-,10+/m0/s1.
What are the key properties of (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane?
(1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-methoxy-2-methylbicyclo[3.2.1]octane is sourced from PubChem (CID 102059130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).