bis(1-ethoxyethyl) decanedioate

C18H34O6 — CID 87368848

IUPACbis(1-ethoxyethyl) decanedioate
SMILESCCOC(C)OC(=O)CCCCCCCCC(=O)OC(C)OCC
InChIInChI=1S/C18H34O6/c1-5-21-15(3)23-17(19)13-11-9-7-8-10-12-14-18(20)24-16(4)22-6-2/h15-16H,5-14H2,1-4H3
InChIKeyRXZJMAWZVFGEPM-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.96
Rot. Bonds15

About bis(1-ethoxyethyl) decanedioate

bis(1-ethoxyethyl) decanedioate (PubChem CID 87368848) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is bis(1-ethoxyethyl) decanedioate.

Molecular Properties

Compound Namebis(1-ethoxyethyl) decanedioate
PubChem CID87368848
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Namebis(1-ethoxyethyl) decanedioate
SMILESCCOC(C)OC(=O)CCCCCCCCC(=O)OC(C)OCC
InChIInChI=1S/C18H34O6/c1-5-21-15(3)23-17(19)13-11-9-7-8-10-12-14-18(20)24-16(4)22-6-2/h15-16H,5-14H2,1-4H3
InChIKeyRXZJMAWZVFGEPM-UHFFFAOYSA-N
XLogP3.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxyethyl 6-methyl-5-oxohept-6-enoate
CID 23553998
1-methoxyethyl hexadecanoate
CID 20514386
bis(1-ethoxycarbonyloxyethyl) hexanedioate
CID 87582906
bis[1-(2-hexoxyethoxy)ethyl] hexanedioate
CID 87924919
bis(1-methoxycarbonyloxyethyl) nonanedioate
CID 91318095
1-acetyloxyethyl hexadecanoate
CID 165389523
1-O-[(2R)-butan-2-yl] 9-O-[(2S)-butan-2-yl] nonanedioate
CID 92532862
dibutan-2-yl octanedioate
CID 593779
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl undecanoate
CID 3016538
1-formyloxyethyl octanoate
CID 174953888
9-[1-(1-butoxyethoxy)ethoxy]-9-oxononanoic acid
CID 121292930

Frequently Asked Questions

What is the IUPAC name of bis(1-ethoxyethyl) decanedioate?
The IUPAC name of bis(1-ethoxyethyl) decanedioate (CID 87368848) is bis(1-ethoxyethyl) decanedioate.
What is the SMILES notation for bis(1-ethoxyethyl) decanedioate?
The canonical SMILES for bis(1-ethoxyethyl) decanedioate is CCOC(C)OC(=O)CCCCCCCCC(=O)OC(C)OCC.
What is the InChIKey of bis(1-ethoxyethyl) decanedioate?
The InChIKey is RXZJMAWZVFGEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-5-21-15(3)23-17(19)13-11-9-7-8-10-12-14-18(20)24-16(4)22-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of bis(1-ethoxyethyl) decanedioate?
bis(1-ethoxyethyl) decanedioate has a molecular weight of 346.46 g/mol, XLogP of 3.96, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethoxyethyl) decanedioate is sourced from PubChem (CID 87368848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).