2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol

C14H24O4 — CID 173477838

IUPAC2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol
SMILESC/C=C(\C#CC(CCC)OCCO)COCCO
InChIInChI=1S/C14H24O4/c1-3-5-14(18-11-9-16)7-6-13(4-2)12-17-10-8-15/h4,14-16H,3,5,8-12H2,1-2H3/b13-4+
InChIKeyXMKFCGMCYJDBNS-YIXHJXPBSA-N
MW256.34 g/mol
LogP1.12
Rot. Bonds9

About 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol

2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol (PubChem CID 173477838) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol.

Molecular Properties

Compound Name2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol
PubChem CID173477838
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol
SMILESC/C=C(\C#CC(CCC)OCCO)COCCO
InChIInChI=1S/C14H24O4/c1-3-5-14(18-11-9-16)7-6-13(4-2)12-17-10-8-15/h4,14-16H,3,5,8-12H2,1-2H3/b13-4+
InChIKeyXMKFCGMCYJDBNS-YIXHJXPBSA-N
XLogP1.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)pentanenitrile
CID 103375829
butane-1,1-diol;2-(2-hydroxyethoxy)ethanol
CID 87212260
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol
CID 58463274
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040
2-(4,7-diethyldec-5-ynoxy)ethanol
CID 151593123
2-(2-methylbut-2-enoxy)ethanol
CID 87196031
9,12-bis(2-hydroxyethoxy)-3,6-dimethyldodeca-4,10-diyne-3,6-diol
CID 129205019
bis(butane-1,1-diol);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(prop-2-enoic acid)
CID 158001200
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
2-(1-aminohexoxy)ethanol
CID 87099968

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol?
The IUPAC name of 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol (CID 173477838) is 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol.
What is the SMILES notation for 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol?
The canonical SMILES for 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol is C/C=C(\C#CC(CCC)OCCO)COCCO.
What is the InChIKey of 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol?
The InChIKey is XMKFCGMCYJDBNS-YIXHJXPBSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-5-14(18-11-9-16)7-6-13(4-2)12-17-10-8-15/h4,14-16H,3,5,8-12H2,1-2H3/b13-4+.
What are the key properties of 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol?
2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol has a molecular weight of 256.34 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol is sourced from PubChem (CID 173477838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).