1-[(2-methylpropan-2-yl)oxy]adamantane

C14H24O — CID 11790441

IUPAC1-[(2-methylpropan-2-yl)oxy]adamantane
SMILESCC(C)(C)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24O/c1-13(2,3)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,4-9H2,1-3H3
InChIKeyPALXMPQISHZXMT-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.77
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]adamantane

1-[(2-methylpropan-2-yl)oxy]adamantane (PubChem CID 11790441) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]adamantane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]adamantane
PubChem CID11790441
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]adamantane
SMILESCC(C)(C)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24O/c1-13(2,3)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,4-9H2,1-3H3
InChIKeyPALXMPQISHZXMT-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Adamantanol
CID 64152
3,5-Dimethyl-1-adamantanol
CID 265793
1-Adamantyl acetate
CID 519973
1-Methoxyadamantane
CID 584854
1-(2-Bromoethoxy)adamantane
CID 2379498
3-Ethyladamantan-1-ol
CID 3472936
3-Methyl-1-adamantanol
CID 4071557
O-(1-adamantyl)hydroxylamine;hydrochloride
CID 70694452
O-(Adamantan-1-yl)hydroxylamine
CID 20319707
1-(1-Adamantyloxy)adamantane
CID 5149460
1-Adamantyloxytrimethylsilane
CID 10922177
1-Ethoxy-adamantane
CID 12504766

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]adamantane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]adamantane (CID 11790441) is 1-[(2-methylpropan-2-yl)oxy]adamantane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]adamantane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]adamantane is CC(C)(C)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]adamantane?
The InChIKey is PALXMPQISHZXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2,3)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]adamantane?
1-[(2-methylpropan-2-yl)oxy]adamantane has a molecular weight of 208.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]adamantane is sourced from PubChem (CID 11790441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).