6-ethoxyhex-1-yne;hex-5-yn-1-ol

C14H24O2 — CID 158489724

IUPAC6-ethoxyhex-1-yne;hex-5-yn-1-ol
SMILESC#CCCCCO.C#CCCCCOCC
InChIInChI=1S/C8H14O.C6H10O/c1-3-5-6-7-8-9-4-2;1-2-3-4-5-6-7/h1H,4-8H2,2H3;1,7H,3-6H2
InChIKeyHINXAEUDVGCISY-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.61
Rot. Bonds8

About 6-ethoxyhex-1-yne;hex-5-yn-1-ol

6-ethoxyhex-1-yne;hex-5-yn-1-ol (PubChem CID 158489724) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 6-ethoxyhex-1-yne;hex-5-yn-1-ol.

Molecular Properties

Compound Name6-ethoxyhex-1-yne;hex-5-yn-1-ol
PubChem CID158489724
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name6-ethoxyhex-1-yne;hex-5-yn-1-ol
SMILESC#CCCCCO.C#CCCCCOCC
InChIInChI=1S/C8H14O.C6H10O/c1-3-5-6-7-8-9-4-2;1-2-3-4-5-6-7/h1H,4-8H2,2H3;1,7H,3-6H2
InChIKeyHINXAEUDVGCISY-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethoxyhex-1-yne;hex-5-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-ethoxydecan-1-ol
CID 22412883
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
8-(ethoxymethoxy)oct-1-yne
CID 156529670
hexadec-15-yn-1-ol
CID 10922615
11-hexoxyundec-1-yne
CID 89349998
12-prop-2-ynoxydodecan-1-ol
CID 21311697
5-prop-2-ynoxypentan-1-ol
CID 10796854
4-(ethoxymethoxymethoxy)butan-1-ol
CID 57011748
butane-1,4-diol;hexa-1,5-diyne
CID 138705678
9-(octoxymethoxy)non-1-yne
CID 156529699
9-(hexoxymethoxy)non-1-yne
CID 156529681
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976

Frequently Asked Questions

What is the IUPAC name of 6-ethoxyhex-1-yne;hex-5-yn-1-ol?
The IUPAC name of 6-ethoxyhex-1-yne;hex-5-yn-1-ol (CID 158489724) is 6-ethoxyhex-1-yne;hex-5-yn-1-ol.
What is the SMILES notation for 6-ethoxyhex-1-yne;hex-5-yn-1-ol?
The canonical SMILES for 6-ethoxyhex-1-yne;hex-5-yn-1-ol is C#CCCCCO.C#CCCCCOCC.
What is the InChIKey of 6-ethoxyhex-1-yne;hex-5-yn-1-ol?
The InChIKey is HINXAEUDVGCISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C6H10O/c1-3-5-6-7-8-9-4-2;1-2-3-4-5-6-7/h1H,4-8H2,2H3;1,7H,3-6H2.
What are the key properties of 6-ethoxyhex-1-yne;hex-5-yn-1-ol?
6-ethoxyhex-1-yne;hex-5-yn-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyhex-1-yne;hex-5-yn-1-ol is sourced from PubChem (CID 158489724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).