butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

C16H34O5 — CID 174766235

IUPACbutane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCC(O)CCCO.CCCC
InChIInChI=1S/C6H10O3.C6H14O2.C4H10/c1(5-3-8-5)7-2-6-4-9-6;1-2-6(8)4-3-5-7;1-3-4-2/h5-6H,1-4H2;6-8H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyKFHRFUHWWTZQSW-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.14
Rot. Bonds9

About butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174766235) has the molecular formula C16H34O5 and a molecular weight of 306.44 g/mol. Its IUPAC name is butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namebutane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174766235
Molecular FormulaC16H34O5
Molecular Weight306.44 g/mol
Exact Mass306.24
IUPAC Namebutane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCC(O)CCCO.CCCC
InChIInChI=1S/C6H10O3.C6H14O2.C4H10/c1(5-3-8-5)7-2-6-4-9-6;1-2-6(8)4-3-5-7;1-3-4-2/h5-6H,1-4H2;6-8H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyKFHRFUHWWTZQSW-UHFFFAOYSA-N
XLogP2.14
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174782636
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 130365137
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-(octadecoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 19926009
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
CID 146198033
2-(5-methylheptoxymethyl)oxirane;propane-1,2,3-triol
CID 174940930

Frequently Asked Questions

What is the IUPAC name of butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174766235) is butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCC(O)CCCO.CCCC.
What is the InChIKey of butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is KFHRFUHWWTZQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H14O2.C4H10/c1(5-3-8-5)7-2-6-4-9-6;1-2-6(8)4-3-5-7;1-3-4-2/h5-6H,1-4H2;6-8H,2-5H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 306.44 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174766235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).