1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane

C14H28O3 — CID 21363535

IUPAC1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane
SMILESCOC(COCC1(C(C)(C)C)CCCC1)OC
InChIInChI=1S/C14H28O3/c1-13(2,3)14(8-6-7-9-14)11-17-10-12(15-4)16-5/h12H,6-11H2,1-5H3
InChIKeyUTMRUVZERLLZCH-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.23
Rot. Bonds6

About 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane

1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane (PubChem CID 21363535) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane
PubChem CID21363535
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane
SMILESCOC(COCC1(C(C)(C)C)CCCC1)OC
InChIInChI=1S/C14H28O3/c1-13(2,3)14(8-6-7-9-14)11-17-10-12(15-4)16-5/h12H,6-11H2,1-5H3
InChIKeyUTMRUVZERLLZCH-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,1-Dimethoxy-2,3-dimethylbutan-2-yl)cyclopentane
CID 68287881
(1,1-Dimethoxy-2-methylheptan-2-yl)cyclopentane
CID 69765072
(1,1-Dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 90457926
1-(1,1-Dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane
CID 90459020
(1,1-Diethoxy-2,3-dimethylbutan-2-yl)cyclopentane
CID 117719535
2-(5,5-Dimethylhexyl)-1,3-dioxolane
CID 124098755
2-(2,4,4-Trimethylhexan-2-yl)-1,3-dioxolane
CID 143652842
2-(5-Methylundecan-5-yl)-1,3-dioxolane
CID 146378836
2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane
CID 164781587
2-[[(1S)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane
CID 164781615
3-(Dimethoxymethyl)-2,3-dimethylheptane
CID 175226933
1-Tert-butyl-1-(methoxymethoxymethyl)cyclopentane
CID 21363573

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane?
The IUPAC name of 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane (CID 21363535) is 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane.
What is the SMILES notation for 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane?
The canonical SMILES for 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane is COC(COCC1(C(C)(C)C)CCCC1)OC.
What is the InChIKey of 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane?
The InChIKey is UTMRUVZERLLZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-13(2,3)14(8-6-7-9-14)11-17-10-12(15-4)16-5/h12H,6-11H2,1-5H3.
What are the key properties of 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane?
1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane has a molecular weight of 244.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane is sourced from PubChem (CID 21363535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).