1-methoxyadamantane

C11H18O — CID 584854

IUPAC1-methoxyadamantane
SMILESCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18O/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChIKeyVLBPHZFRABGLFH-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.60
Rot. Bonds1

About 1-methoxyadamantane

1-methoxyadamantane (PubChem CID 584854) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-methoxyadamantane.

Molecular Properties

Compound Name1-methoxyadamantane
PubChem CID584854
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-methoxyadamantane
SMILESCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18O/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChIKeyVLBPHZFRABGLFH-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyadamantane?
The IUPAC name of 1-methoxyadamantane (CID 584854) is 1-methoxyadamantane.
What is the SMILES notation for 1-methoxyadamantane?
The canonical SMILES for 1-methoxyadamantane is COC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-methoxyadamantane?
The InChIKey is VLBPHZFRABGLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3.
What are the key properties of 1-methoxyadamantane?
1-methoxyadamantane has a molecular weight of 166.26 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 1-methoxyadamantane is sourced from PubChem (CID 584854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).