1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane

C13H26O2 — CID 153309122

IUPAC1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane
SMILESCC(C)(C)OC1(OC(C)(C)C)CCCC1
InChIInChI=1S/C13H26O2/c1-11(2,3)14-13(9-7-8-10-13)15-12(4,5)6/h7-10H2,1-6H3
InChIKeyTVFJGMJQSPPQTP-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.89
Rot. Bonds2

About 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane

1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane (PubChem CID 153309122) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane.

Molecular Properties

Compound Name1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane
PubChem CID153309122
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane
SMILESCC(C)(C)OC1(OC(C)(C)C)CCCC1
InChIInChI=1S/C13H26O2/c1-11(2,3)14-13(9-7-8-10-13)15-12(4,5)6/h7-10H2,1-6H3
InChIKeyTVFJGMJQSPPQTP-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(tert-butylperoxy)cyclododecane
CID 14949973
2-ethoxypropan-2-yloxy-[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxysilane
CID 174053359
1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane
CID 157323257
1-methyl-1-[(2-methylpropan-2-yl)oxy]cyclopropane
CID 59446338
1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde
CID 115016765
1-tert-butylperoxy-1-methoxycyclohexane
CID 14573035
2-[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
CID 115021831
1,4-dimethyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364977
1,1-bis(3,3-dimethylbutoxy)cyclopentane
CID 155455157
1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine
CID 155794361
1-tert-butylperoxy-1-(2,4,4-trimethylhexan-2-ylperoxy)cyclohexane
CID 167294089
1,1,2-triethyl-2-[(2-methylpropan-2-yl)oxy]silinane;hydrofluoride
CID 174752292

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane?
The IUPAC name of 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane (CID 153309122) is 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane.
What is the SMILES notation for 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane?
The canonical SMILES for 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane is CC(C)(C)OC1(OC(C)(C)C)CCCC1.
What is the InChIKey of 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane?
The InChIKey is TVFJGMJQSPPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(2,3)14-13(9-7-8-10-13)15-12(4,5)6/h7-10H2,1-6H3.
What are the key properties of 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane?
1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane has a molecular weight of 214.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane is sourced from PubChem (CID 153309122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).