1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane

C18H36O2 — CID 70930204

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESCC(C)(C)OCCCCC1(COC(C)(C)C)CCCC1
InChIInChI=1S/C18H36O2/c1-16(2,3)19-14-10-9-13-18(11-7-8-12-18)15-20-17(4,5)6/h7-15H2,1-6H3
InChIKeyUIMDJCJUPOUMMO-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.35
Rot. Bonds7

About 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane

1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (PubChem CID 70930204) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
PubChem CID70930204
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
SMILESCC(C)(C)OCCCCC1(COC(C)(C)C)CCCC1
InChIInChI=1S/C18H36O2/c1-16(2,3)19-14-10-9-13-18(11-7-8-12-18)15-20-17(4,5)6/h7-15H2,1-6H3
InChIKeyUIMDJCJUPOUMMO-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70930014
1-(5,5-dimethylhexyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 70929941
N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine
CID 155793886
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
CID 112591475
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclobutyl]methanol
CID 112592330
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
CID 112591476
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-ol
CID 130445471
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
CID 171611844
1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
1-hexyl-1-(methoxymethyl)cyclopentane
CID 143807105
1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794097
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
CID 167387398

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane (CID 70930204) is 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is CC(C)(C)OCCCCC1(COC(C)(C)C)CCCC1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
The InChIKey is UIMDJCJUPOUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-16(2,3)19-14-10-9-13-18(11-7-8-12-18)15-20-17(4,5)6/h7-15H2,1-6H3.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane?
1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane has a molecular weight of 284.48 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane is sourced from PubChem (CID 70930204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).