butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol

C34H76O14 — CID 159419323

IUPACbutan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol
SMILESCCCCO.CCOC1OC(C)C(O)C(O)C1C.CCOCC(C)(CO)CO.CCOCC(C)(O)CCCO.CCOCC(C)(O)CO
InChIInChI=1S/C9H18O4.C8H18O3.C7H16O3.C6H14O3.C4H10O/c1-4-12-9-5(2)7(10)8(11)6(3)13-9;1-3-11-7-8(2,10)5-4-6-9;1-3-10-6-7(2,4-8)5-9;1-3-9-5-6(2,8)4-7;1-2-3-4-5/h5-11H,4H2,1-3H3;9-10H,3-7H2,1-2H3;8-9H,3-6H2,1-2H3;7-8H,3-5H2,1-2H3;5H,2-4H2,1H3
InChIKeyLPOFXJUWAPWLRR-UHFFFAOYSA-N
MW708.97 g/mol
LogP1.23
Rot. Bonds19

About butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol

butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol (PubChem CID 159419323) has the molecular formula C34H76O14 and a molecular weight of 708.97 g/mol. Its IUPAC name is butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol.

Molecular Properties

Compound Namebutan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol
PubChem CID159419323
Molecular FormulaC34H76O14
Molecular Weight708.97 g/mol
Exact Mass708.52
IUPAC Namebutan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol
SMILESCCCCO.CCOC1OC(C)C(O)C(O)C1C.CCOCC(C)(CO)CO.CCOCC(C)(O)CCCO.CCOCC(C)(O)CO
InChIInChI=1S/C9H18O4.C8H18O3.C7H16O3.C6H14O3.C4H10O/c1-4-12-9-5(2)7(10)8(11)6(3)13-9;1-3-11-7-8(2,10)5-4-6-9;1-3-10-6-7(2,4-8)5-9;1-3-9-5-6(2,8)4-7;1-2-3-4-5/h5-11H,4H2,1-3H3;9-10H,3-7H2,1-2H3;8-9H,3-6H2,1-2H3;7-8H,3-5H2,1-2H3;5H,2-4H2,1H3
InChIKeyLPOFXJUWAPWLRR-UHFFFAOYSA-N
XLogP1.23
TPSA228.22 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500708.97
LogP ≤ 51.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol?
The IUPAC name of butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol (CID 159419323) is butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol.
What is the SMILES notation for butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol?
The canonical SMILES for butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol is CCCCO.CCOC1OC(C)C(O)C(O)C1C.CCOCC(C)(CO)CO.CCOCC(C)(O)CCCO.CCOCC(C)(O)CO.
What is the InChIKey of butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol?
The InChIKey is LPOFXJUWAPWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4.C8H18O3.C7H16O3.C6H14O3.C4H10O/c1-4-12-9-5(2)7(10)8(11)6(3)13-9;1-3-11-7-8(2,10)5-4-6-9;1-3-10-6-7(2,4-8)5-9;1-3-9-5-6(2,8)4-7;1-2-3-4-5/h5-11H,4H2,1-3H3;9-10H,3-7H2,1-2H3;8-9H,3-6H2,1-2H3;7-8H,3-5H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol?
butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol has a molecular weight of 708.97 g/mol, XLogP of 1.23, 19 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;6-ethoxy-2,5-dimethyloxane-3,4-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;5-ethoxy-4-methylpentane-1,4-diol;3-ethoxy-2-methylpropane-1,2-diol is sourced from PubChem (CID 159419323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).