octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

C14H28O5 — CID 174782636

IUPACoctane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCCC(O)CC(O)CC
InChIInChI=1S/C8H18O2.C6H10O3/c1-3-5-8(10)6-7(9)4-2;1(5-3-8-5)7-2-6-4-9-6/h7-10H,3-6H2,1-2H3;5-6H,1-4H2
InChIKeyGMPIOTBHQFPHLK-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.11
Rot. Bonds9

About octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174782636) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Nameoctane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174782636
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Nameoctane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCCC(O)CC(O)CC
InChIInChI=1S/C8H18O2.C6H10O3/c1-3-5-8(10)6-7(9)4-2;1(5-3-8-5)7-2-6-4-9-6/h7-10H,3-6H2,1-2H3;5-6H,1-4H2
InChIKeyGMPIOTBHQFPHLK-UHFFFAOYSA-N
XLogP1.11
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.11
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

butane;hexane-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174766235
octane-3,5-diol;scandium
CID 164810284
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
5-(2-methylprop-2-enoyloxy)octan-3-yl 2-methylprop-2-enoate;octane-3,5-diol;oxiran-2-ylmethanol;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159460438
1-[dimethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174822404
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
CID 146198033
2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol
CID 174620010
1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174766123
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417

Frequently Asked Questions

What is the IUPAC name of octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174782636) is octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCCC(O)CC(O)CC.
What is the InChIKey of octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is GMPIOTBHQFPHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C6H10O3/c1-3-5-8(10)6-7(9)4-2;1(5-3-8-5)7-2-6-4-9-6/h7-10H,3-6H2,1-2H3;5-6H,1-4H2.
What are the key properties of octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 276.37 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174782636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).