1-(2-methylprop-2-enoxy)adamantane

C14H22O — CID 68812158

IUPAC1-(2-methylprop-2-enoxy)adamantane
SMILESC=C(C)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22O/c1-10(2)9-15-14-6-11-3-12(7-14)5-13(4-11)8-14/h11-13H,1,3-9H2,2H3
InChIKeyDODZKVWENVRAFY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-methylprop-2-enoxy)adamantane

1-(2-methylprop-2-enoxy)adamantane (PubChem CID 68812158) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)adamantane.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)adamantane
PubChem CID68812158
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(2-methylprop-2-enoxy)adamantane
SMILESC=C(C)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22O/c1-10(2)9-15-14-6-11-3-12(7-14)5-13(4-11)8-14/h11-13H,1,3-9H2,2H3
InChIKeyDODZKVWENVRAFY-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)adamantane?
The IUPAC name of 1-(2-methylprop-2-enoxy)adamantane (CID 68812158) is 1-(2-methylprop-2-enoxy)adamantane.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)adamantane?
The canonical SMILES for 1-(2-methylprop-2-enoxy)adamantane is C=C(C)COC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-methylprop-2-enoxy)adamantane?
The InChIKey is DODZKVWENVRAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)9-15-14-6-11-3-12(7-14)5-13(4-11)8-14/h11-13H,1,3-9H2,2H3.
What are the key properties of 1-(2-methylprop-2-enoxy)adamantane?
1-(2-methylprop-2-enoxy)adamantane has a molecular weight of 206.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)adamantane is sourced from PubChem (CID 68812158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).