butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate

C14H30O5 — CID 88656845

IUPACbutane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
SMILESCCCC.CCCC(=O)OCCOCCOCCO
InChIInChI=1S/C10H20O5.C4H10/c1-2-3-10(12)15-9-8-14-7-6-13-5-4-11;1-3-4-2/h11H,2-9H2,1H3;3-4H2,1-2H3
InChIKeyGFCJOIFSEMBTDR-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.16
Rot. Bonds11

About butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate

butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate (PubChem CID 88656845) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate.

Molecular Properties

Compound Namebutane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
PubChem CID88656845
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Namebutane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
SMILESCCCC.CCCC(=O)OCCOCCOCCO
InChIInChI=1S/C10H20O5.C4H10/c1-2-3-10(12)15-9-8-14-7-6-13-5-4-11;1-3-4-2/h11H,2-9H2,1H3;3-4H2,1-2H3
InChIKeyGFCJOIFSEMBTDR-UHFFFAOYSA-N
XLogP2.16
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854
2-butanoyloxyethyl butanoate;methane
CID 161018761
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate
CID 87568507
2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid
CID 172745187

Frequently Asked Questions

What is the IUPAC name of butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate?
The IUPAC name of butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate (CID 88656845) is butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate.
What is the SMILES notation for butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate?
The canonical SMILES for butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate is CCCC.CCCC(=O)OCCOCCOCCO.
What is the InChIKey of butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate?
The InChIKey is GFCJOIFSEMBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5.C4H10/c1-2-3-10(12)15-9-8-14-7-6-13-5-4-11;1-3-4-2/h11H,2-9H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate?
butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate has a molecular weight of 278.39 g/mol, XLogP of 2.16, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate is sourced from PubChem (CID 88656845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).