tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate

C33H62O11 — CID 160754855

IUPACtert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(OCCOCCOCCO)CCCC1.CCCOCCOCCOC1(C(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C17H32O5.C16H30O6/c1-5-10-19-11-12-20-13-14-21-17(8-6-7-9-17)15(18)22-16(2,3)4;1-15(2,3)22-14(18)16(6-4-5-7-16)21-13-12-20-11-10-19-9-8-17/h5-14H2,1-4H3;17H,4-13H2,1-3H3
InChIKeyRXHIELVQAUELEV-UHFFFAOYSA-N
MW634.85 g/mol
LogP4.78
Rot. Bonds20

About tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate

tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate (PubChem CID 160754855) has the molecular formula C33H62O11 and a molecular weight of 634.85 g/mol. Its IUPAC name is tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate
PubChem CID160754855
Molecular FormulaC33H62O11
Molecular Weight634.85 g/mol
Exact Mass634.43
IUPAC Nametert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(OCCOCCOCCO)CCCC1.CCCOCCOCCOC1(C(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C17H32O5.C16H30O6/c1-5-10-19-11-12-20-13-14-21-17(8-6-7-9-17)15(18)22-16(2,3)4;1-15(2,3)22-14(18)16(6-4-5-7-16)21-13-12-20-11-10-19-9-8-17/h5-14H2,1-4H3;17H,4-13H2,1-3H3
InChIKeyRXHIELVQAUELEV-UHFFFAOYSA-N
XLogP4.78
TPSA128.21 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.85
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate
CID 122573455
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;oxolane
CID 167602576
1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
CID 114990948
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
tert-butyl 4-(iodomethyl)-4-(2-propoxyethoxy)piperidine-1-carboxylate
CID 104969696
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;tert-butyl N-(2-propoxyethyl)carbamate;methane;methanesulfonyl chloride
CID 162247572
tert-butyl 2-[5-(2-hydroxyethoxy)pentoxy]acetate;tert-butyl 2-(5-propoxypentoxy)acetate
CID 160990095
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
tert-butyl (2S)-2-(propoxymethyl)pyrrolidine-2-carboxylate
CID 125449489
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 87459170

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate (CID 160754855) is tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1(OCCOCCOCCO)CCCC1.CCCOCCOCCOC1(C(=O)OC(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate?
The InChIKey is RXHIELVQAUELEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5.C16H30O6/c1-5-10-19-11-12-20-13-14-21-17(8-6-7-9-17)15(18)22-16(2,3)4;1-15(2,3)22-14(18)16(6-4-5-7-16)21-13-12-20-11-10-19-9-8-17/h5-14H2,1-4H3;17H,4-13H2,1-3H3.
What are the key properties of tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate?
tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate has a molecular weight of 634.85 g/mol, XLogP of 4.78, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate;tert-butyl 1-[2-(2-propoxyethoxy)ethoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 160754855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).