5-[1-(1-adamantyl)ethyl]tetraoxane

C14H22O4 — CID 140549663

IUPAC5-[1-(1-adamantyl)ethyl]tetraoxane
SMILESCC(C1COOOO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22O4/c1-9(13-8-15-17-18-16-13)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-13H,2-8H2,1H3
InChIKeyZVEBVAPXDXWOEL-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.03
Rot. Bonds2

About 5-[1-(1-adamantyl)ethyl]tetraoxane

5-[1-(1-adamantyl)ethyl]tetraoxane (PubChem CID 140549663) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[1-(1-adamantyl)ethyl]tetraoxane.

Molecular Properties

Compound Name5-[1-(1-adamantyl)ethyl]tetraoxane
PubChem CID140549663
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name5-[1-(1-adamantyl)ethyl]tetraoxane
SMILESCC(C1COOOO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22O4/c1-9(13-8-15-17-18-16-13)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-13H,2-8H2,1H3
InChIKeyZVEBVAPXDXWOEL-UHFFFAOYSA-N
XLogP3.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
5-(1-adamantylmethyl)tetraoxane
CID 140549662
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
1-(1-adamantyl)ethyl-trihydroxysilane
CID 69077254
[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium
CID 7154824
1-(1-adamantyl)ethylhydrazine
CID 23008707
(R)-1-adamantyl(methoxy)methanol
CID 124639055
2-(1-adamantyl)propan-1-ol
CID 23623999
1-(1-adamantyl)-2-bromoethanol
CID 3556633
(1R)-1-(1-adamantyl)-2-bromoethanol
CID 10106600
1-(3-bromohexan-2-yl)adamantane
CID 83051676

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-adamantyl)ethyl]tetraoxane?
The IUPAC name of 5-[1-(1-adamantyl)ethyl]tetraoxane (CID 140549663) is 5-[1-(1-adamantyl)ethyl]tetraoxane.
What is the SMILES notation for 5-[1-(1-adamantyl)ethyl]tetraoxane?
The canonical SMILES for 5-[1-(1-adamantyl)ethyl]tetraoxane is CC(C1COOOO1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[1-(1-adamantyl)ethyl]tetraoxane?
The InChIKey is ZVEBVAPXDXWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-9(13-8-15-17-18-16-13)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-13H,2-8H2,1H3.
What are the key properties of 5-[1-(1-adamantyl)ethyl]tetraoxane?
5-[1-(1-adamantyl)ethyl]tetraoxane has a molecular weight of 254.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-adamantyl)ethyl]tetraoxane is sourced from PubChem (CID 140549663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).