1-(butoxymethoxy)adamantane

C15H26O2 — CID 11310968

IUPAC1-(butoxymethoxy)adamantane
SMILESCCCCOCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O2/c1-2-3-4-16-11-17-15-8-12-5-13(9-15)7-14(6-12)10-15/h12-14H,2-11H2,1H3
InChIKeyDJKMAEVNTVLHBI-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.75
Rot. Bonds6

About 1-(butoxymethoxy)adamantane

1-(butoxymethoxy)adamantane (PubChem CID 11310968) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(butoxymethoxy)adamantane.

Molecular Properties

Compound Name1-(butoxymethoxy)adamantane
PubChem CID11310968
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-(butoxymethoxy)adamantane
SMILESCCCCOCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O2/c1-2-3-4-16-11-17-15-8-12-5-13(9-15)7-14(6-12)10-15/h12-14H,2-11H2,1H3
InChIKeyDJKMAEVNTVLHBI-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3,5-bis(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;[3,5,7-tris(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate
CID 159704404
2-(1-adamantyloxy)ethyl-dodecyl-dimethylazanium bromide
CID 70602461
N-(1-adamantyloxy)-N-ethyl-2-methylpentadecan-2-amine;hydrobromide
CID 173445402
2-(1-adamantyloxy)-N-methylethanamine;hydrochloride
CID 2975551
3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane
CID 172791199
N-(1-adamantyloxymethoxymethyl)-N-cyclohexylcyclohexanamine
CID 123283850
1-(2-bromoethoxy)adamantane
CID 2379498
2-(1-adamantyloxy)ethyl-methylazanium
CID 7321805
2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013927
2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013877
4-(1-adamantyloxy)butyl acetate
CID 134839652
[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;[3,5,7-tris[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate
CID 162240842

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethoxy)adamantane?
The IUPAC name of 1-(butoxymethoxy)adamantane (CID 11310968) is 1-(butoxymethoxy)adamantane.
What is the SMILES notation for 1-(butoxymethoxy)adamantane?
The canonical SMILES for 1-(butoxymethoxy)adamantane is CCCCOCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(butoxymethoxy)adamantane?
The InChIKey is DJKMAEVNTVLHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-16-11-17-15-8-12-5-13(9-15)7-14(6-12)10-15/h12-14H,2-11H2,1H3.
What are the key properties of 1-(butoxymethoxy)adamantane?
1-(butoxymethoxy)adamantane has a molecular weight of 238.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethoxy)adamantane is sourced from PubChem (CID 11310968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).