4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol

C15H30O5 — CID 143470723

IUPAC4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol
SMILESCCCCCC(OCC(O)CCO)C1CC(O)C(C)O1
InChIInChI=1S/C15H30O5/c1-3-4-5-6-14(19-10-12(17)7-8-16)15-9-13(18)11(2)20-15/h11-18H,3-10H2,1-2H3
InChIKeyLQUXVMISWJGDIV-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.23
Rot. Bonds10

About 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol

4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol (PubChem CID 143470723) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol
PubChem CID143470723
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol
SMILESCCCCCC(OCC(O)CCO)C1CC(O)C(C)O1
InChIInChI=1S/C15H30O5/c1-3-4-5-6-14(19-10-12(17)7-8-16)15-9-13(18)11(2)20-15/h11-18H,3-10H2,1-2H3
InChIKeyLQUXVMISWJGDIV-UHFFFAOYSA-N
XLogP1.23
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol
CID 143470703
methyl 8-[3-hydroxy-5-[1-(2-hydroxyethoxy)hexyl]oxolan-2-yl]octanoate
CID 100958319
(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol
CID 134492565
2-methyl-6-octan-2-yloxan-3-ol
CID 146182502
(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol
CID 10777626
9-(2-hydroxy-3-nitrosopropoxy)-9-(5-pentyloxolan-2-yl)nonanoic acid;methanol
CID 143470708
ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol
CID 143470702
(2S,3S,5S)-5-[(1S)-1-hydroxyheptyl]-2-pentyloxolan-3-ol
CID 101465575
(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol
CID 163072351
(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol
CID 88654072
1-(1-hydroxypropan-2-yloxy)decan-2-ol
CID 160879010
2-(1-tetradecoxyicosyl)oxirane
CID 88767792

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol?
The IUPAC name of 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol (CID 143470723) is 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol.
What is the SMILES notation for 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol?
The canonical SMILES for 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol is CCCCCC(OCC(O)CCO)C1CC(O)C(C)O1.
What is the InChIKey of 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol?
The InChIKey is LQUXVMISWJGDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-3-4-5-6-14(19-10-12(17)7-8-16)15-9-13(18)11(2)20-15/h11-18H,3-10H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol?
4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol has a molecular weight of 290.40 g/mol, XLogP of 1.23, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol is sourced from PubChem (CID 143470723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).