hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)

C18H34O8 — CID 174983499

IUPAChexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
SMILESC(OCC1CO1)C1CO1.C(OCC1CO1)C1CO1.OCCCCCCO
InChIInChI=1S/2C6H10O3.C6H14O2/c2*1(5-3-8-5)7-2-6-4-9-6;7-5-3-1-2-4-6-8/h2*5-6H,1-4H2;7-8H,1-6H2
InChIKeyDJUCHUULSMVMMJ-UHFFFAOYSA-N
MW378.46 g/mol
LogP0.13
Rot. Bonds13

About hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)

hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane) (PubChem CID 174983499) has the molecular formula C18H34O8 and a molecular weight of 378.46 g/mol. Its IUPAC name is hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane).

Molecular Properties

Compound Namehexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
PubChem CID174983499
Molecular FormulaC18H34O8
Molecular Weight378.46 g/mol
Exact Mass378.23
IUPAC Namehexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
SMILESC(OCC1CO1)C1CO1.C(OCC1CO1)C1CO1.OCCCCCCO
InChIInChI=1S/2C6H10O3.C6H14O2/c2*1(5-3-8-5)7-2-6-4-9-6;7-5-3-1-2-4-6-8/h2*5-6H,1-4H2;7-8H,1-6H2
InChIKeyDJUCHUULSMVMMJ-UHFFFAOYSA-N
XLogP0.13
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87212352
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87871261
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175215443

Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)?
The IUPAC name of hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane) (CID 174983499) is hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane).
What is the SMILES notation for hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)?
The canonical SMILES for hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane) is C(OCC1CO1)C1CO1.C(OCC1CO1)C1CO1.OCCCCCCO.
What is the InChIKey of hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)?
The InChIKey is DJUCHUULSMVMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O3.C6H14O2/c2*1(5-3-8-5)7-2-6-4-9-6;7-5-3-1-2-4-6-8/h2*5-6H,1-4H2;7-8H,1-6H2.
What are the key properties of hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)?
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane) has a molecular weight of 378.46 g/mol, XLogP of 0.13, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane) is sourced from PubChem (CID 174983499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).