6-(oxan-2-yloxy)hex-4-yn-3-ol

C11H18O3 — CID 11052595

IUPAC6-(oxan-2-yloxy)hex-4-yn-3-ol
SMILESCCC(O)C#CCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-2-10(12)6-5-9-14-11-7-3-4-8-13-11/h10-12H,2-4,7-9H2,1H3
InChIKeyBUBWQSMPBBNVLM-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.30
Rot. Bonds3

About 6-(oxan-2-yloxy)hex-4-yn-3-ol

6-(oxan-2-yloxy)hex-4-yn-3-ol (PubChem CID 11052595) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 6-(oxan-2-yloxy)hex-4-yn-3-ol.

Molecular Properties

Compound Name6-(oxan-2-yloxy)hex-4-yn-3-ol
PubChem CID11052595
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name6-(oxan-2-yloxy)hex-4-yn-3-ol
SMILESCCC(O)C#CCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-2-10(12)6-5-9-14-11-7-3-4-8-13-11/h10-12H,2-4,7-9H2,1H3
InChIKeyBUBWQSMPBBNVLM-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(oxan-2-yloxy)hex-4-yn-3-ol?
The IUPAC name of 6-(oxan-2-yloxy)hex-4-yn-3-ol (CID 11052595) is 6-(oxan-2-yloxy)hex-4-yn-3-ol.
What is the SMILES notation for 6-(oxan-2-yloxy)hex-4-yn-3-ol?
The canonical SMILES for 6-(oxan-2-yloxy)hex-4-yn-3-ol is CCC(O)C#CCOC1CCCCO1.
What is the InChIKey of 6-(oxan-2-yloxy)hex-4-yn-3-ol?
The InChIKey is BUBWQSMPBBNVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-10(12)6-5-9-14-11-7-3-4-8-13-11/h10-12H,2-4,7-9H2,1H3.
What are the key properties of 6-(oxan-2-yloxy)hex-4-yn-3-ol?
6-(oxan-2-yloxy)hex-4-yn-3-ol has a molecular weight of 198.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxy)hex-4-yn-3-ol is sourced from PubChem (CID 11052595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).