2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol

C17H30O6 — CID 155082504

IUPAC2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol
SMILESC#CCC(C)(C)OCCC(C)(C)OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C17H30O6/c1-7-8-16(3,4)21-10-9-17(5,6)23-15-14(20)13(19)12(18)11(2)22-15/h1,11-15,18-20H,8-10H2,2-6H3
InChIKeyQLCIQLZKPDFQTC-UHFFFAOYSA-N
MW330.42 g/mol
LogP0.82
Rot. Bonds7

About 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol

2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol (PubChem CID 155082504) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol
PubChem CID155082504
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Name2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol
SMILESC#CCC(C)(C)OCCC(C)(C)OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C17H30O6/c1-7-8-16(3,4)21-10-9-17(5,6)23-15-14(20)13(19)12(18)11(2)22-15/h1,11-15,18-20H,8-10H2,2-6H3
InChIKeyQLCIQLZKPDFQTC-UHFFFAOYSA-N
XLogP0.82
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol?
The IUPAC name of 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol (CID 155082504) is 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol is C#CCC(C)(C)OCCC(C)(C)OC1OC(C)C(O)C(O)C1O.
What is the InChIKey of 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol?
The InChIKey is QLCIQLZKPDFQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O6/c1-7-8-16(3,4)21-10-9-17(5,6)23-15-14(20)13(19)12(18)11(2)22-15/h1,11-15,18-20H,8-10H2,2-6H3.
What are the key properties of 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol?
2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol has a molecular weight of 330.42 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 155082504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).