bis(3-propoxypropyl) hexanedioate

C18H34O6 — CID 174802487

IUPACbis(3-propoxypropyl) hexanedioate
SMILESCCCOCCCOC(=O)CCCCC(=O)OCCCOCCC
InChIInChI=1S/C18H34O6/c1-3-11-21-13-7-15-23-17(19)9-5-6-10-18(20)24-16-8-14-22-12-4-2/h3-16H2,1-2H3
InChIKeyPZMPTZWFBQCOFM-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.27
Rot. Bonds17

About bis(3-propoxypropyl) hexanedioate

bis(3-propoxypropyl) hexanedioate (PubChem CID 174802487) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is bis(3-propoxypropyl) hexanedioate.

Molecular Properties

Compound Namebis(3-propoxypropyl) hexanedioate
PubChem CID174802487
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Namebis(3-propoxypropyl) hexanedioate
SMILESCCCOCCCOC(=O)CCCCC(=O)OCCCOCCC
InChIInChI=1S/C18H34O6/c1-3-11-21-13-7-15-23-17(19)9-5-6-10-18(20)24-16-8-14-22-12-4-2/h3-16H2,1-2H3
InChIKeyPZMPTZWFBQCOFM-UHFFFAOYSA-N
XLogP3.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propyl 4-[4-[3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propoxy]-4-oxobutoxy]butanoate
CID 139796293
10-propoxydecyl 5-sulfanylpentanoate
CID 54025623
3-hexadecanoyloxypropyl heptadecanoate
CID 54138820
2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096
4-oxo-4-[4-(4-propoxybutoxy)butoxy]butanoic acid
CID 87460185
pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469616
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
bis(3-propoxypropyl) carbonate
CID 90300554
pentyl hexanoate
CID 10886
dibutyl heptadecanedioate
CID 87117348
2-dodecoxyethyl octadecanoate
CID 23042460
dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874

Frequently Asked Questions

What is the IUPAC name of bis(3-propoxypropyl) hexanedioate?
The IUPAC name of bis(3-propoxypropyl) hexanedioate (CID 174802487) is bis(3-propoxypropyl) hexanedioate.
What is the SMILES notation for bis(3-propoxypropyl) hexanedioate?
The canonical SMILES for bis(3-propoxypropyl) hexanedioate is CCCOCCCOC(=O)CCCCC(=O)OCCCOCCC.
What is the InChIKey of bis(3-propoxypropyl) hexanedioate?
The InChIKey is PZMPTZWFBQCOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-3-11-21-13-7-15-23-17(19)9-5-6-10-18(20)24-16-8-14-22-12-4-2/h3-16H2,1-2H3.
What are the key properties of bis(3-propoxypropyl) hexanedioate?
bis(3-propoxypropyl) hexanedioate has a molecular weight of 346.46 g/mol, XLogP of 3.27, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-propoxypropyl) hexanedioate is sourced from PubChem (CID 174802487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).