2-(2,2-dimethylbutoxy)-2-ethyladamantane

C18H32O — CID 58195744

IUPAC2-(2,2-dimethylbutoxy)-2-ethyladamantane
SMILESCCC(C)(C)COC1(CC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H32O/c1-5-17(3,4)12-19-18(6-2)15-8-13-7-14(10-15)11-16(18)9-13/h13-16H,5-12H2,1-4H3
InChIKeyZXMSCHFHIBOEOO-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.04
Rot. Bonds5

About 2-(2,2-dimethylbutoxy)-2-ethyladamantane

2-(2,2-dimethylbutoxy)-2-ethyladamantane (PubChem CID 58195744) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-(2,2-dimethylbutoxy)-2-ethyladamantane.

Molecular Properties

Compound Name2-(2,2-dimethylbutoxy)-2-ethyladamantane
PubChem CID58195744
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-(2,2-dimethylbutoxy)-2-ethyladamantane
SMILESCCC(C)(C)COC1(CC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H32O/c1-5-17(3,4)12-19-18(6-2)15-8-13-7-14(10-15)11-16(18)9-13/h13-16H,5-12H2,1-4H3
InChIKeyZXMSCHFHIBOEOO-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutoxy)-2-ethyladamantane?
The IUPAC name of 2-(2,2-dimethylbutoxy)-2-ethyladamantane (CID 58195744) is 2-(2,2-dimethylbutoxy)-2-ethyladamantane.
What is the SMILES notation for 2-(2,2-dimethylbutoxy)-2-ethyladamantane?
The canonical SMILES for 2-(2,2-dimethylbutoxy)-2-ethyladamantane is CCC(C)(C)COC1(CC)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2,2-dimethylbutoxy)-2-ethyladamantane?
The InChIKey is ZXMSCHFHIBOEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-5-17(3,4)12-19-18(6-2)15-8-13-7-14(10-15)11-16(18)9-13/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-(2,2-dimethylbutoxy)-2-ethyladamantane?
2-(2,2-dimethylbutoxy)-2-ethyladamantane has a molecular weight of 264.45 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutoxy)-2-ethyladamantane is sourced from PubChem (CID 58195744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).