(Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol

C14H18O4 — CID 101162330

IUPAC(Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol
SMILESOC/C=C\COCC#CC#CCOC/C=C\CO
InChIInChI=1S/C14H18O4/c15-9-3-7-13-17-11-5-1-2-6-12-18-14-8-4-10-16/h3-4,7-8,15-16H,9-14H2/b7-3-,8-4-
InChIKeyFUZWCNQGOUEBAE-VHOZIDCHSA-N
MW250.29 g/mol
LogP0.12
Rot. Bonds8

About (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol

(Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol (PubChem CID 101162330) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol
PubChem CID101162330
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol
SMILESOC/C=C\COCC#CC#CCOC/C=C\CO
InChIInChI=1S/C14H18O4/c15-9-3-7-13-17-11-5-1-2-6-12-18-14-8-4-10-16/h3-4,7-8,15-16H,9-14H2/b7-3-,8-4-
InChIKeyFUZWCNQGOUEBAE-VHOZIDCHSA-N
XLogP0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-dec-2-ynoxybut-2-en-1-ol
CID 11345122
(E)-4-dec-2-ynoxybut-2-en-1-ol
CID 11218372
4-but-2-enoxybut-2-en-1-ol
CID 76540479
CID 175978360
CID 175978360
(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene
CID 11074175
(Z)-4-dodecoxybut-2-en-1-ol
CID 6912104
4-(oxiran-2-ylmethoxy)but-2-en-1-ol
CID 91168498
6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol
CID 10375034
[(Z)-4-hydroxybut-2-enyl] hydrogen carbonate
CID 87127791
(Z)-dec-2-en-6,8-diyn-1-ol
CID 53344348
4-hydroxybut-2-enyl acetate
CID 54073989
1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
CID 11252648

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol?
The IUPAC name of (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol (CID 101162330) is (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol.
What is the SMILES notation for (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol?
The canonical SMILES for (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol is OC/C=C\COCC#CC#CCOC/C=C\CO.
What is the InChIKey of (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol?
The InChIKey is FUZWCNQGOUEBAE-VHOZIDCHSA-N. The full InChI is InChI=1S/C14H18O4/c15-9-3-7-13-17-11-5-1-2-6-12-18-14-8-4-10-16/h3-4,7-8,15-16H,9-14H2/b7-3-,8-4-.
What are the key properties of (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol?
(Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol has a molecular weight of 250.29 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol is sourced from PubChem (CID 101162330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).