(E)-4-dec-2-ynoxybut-2-en-1-ol

C14H24O2 — CID 11218372

IUPAC(E)-4-dec-2-ynoxybut-2-en-1-ol
SMILESCCCCCCCC#CCOC/C=C/CO
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15/h9,11,15H,2-7,12-14H2,1H3/b11-9+
InChIKeyJWNBRDUKVHEWIN-PKNBQFBNSA-N
MW224.34 g/mol
LogP2.92
Rot. Bonds9

About (E)-4-dec-2-ynoxybut-2-en-1-ol

(E)-4-dec-2-ynoxybut-2-en-1-ol (PubChem CID 11218372) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (E)-4-dec-2-ynoxybut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-dec-2-ynoxybut-2-en-1-ol
PubChem CID11218372
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(E)-4-dec-2-ynoxybut-2-en-1-ol
SMILESCCCCCCCC#CCOC/C=C/CO
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15/h9,11,15H,2-7,12-14H2,1H3/b11-9+
InChIKeyJWNBRDUKVHEWIN-PKNBQFBNSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
CID 11252648
(Z)-4-dodecoxybut-2-en-1-ol
CID 6912104
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
henicos-8-yne
CID 22224321
1-(2-ethoxyethoxy)oct-2-yne
CID 169324331
tetradec-5-yn-1-ol
CID 15730841
heptadec-8-yn-1-ol
CID 10491053
1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne
CID 10517912

Frequently Asked Questions

What is the IUPAC name of (E)-4-dec-2-ynoxybut-2-en-1-ol?
The IUPAC name of (E)-4-dec-2-ynoxybut-2-en-1-ol (CID 11218372) is (E)-4-dec-2-ynoxybut-2-en-1-ol.
What is the SMILES notation for (E)-4-dec-2-ynoxybut-2-en-1-ol?
The canonical SMILES for (E)-4-dec-2-ynoxybut-2-en-1-ol is CCCCCCCC#CCOC/C=C/CO.
What is the InChIKey of (E)-4-dec-2-ynoxybut-2-en-1-ol?
The InChIKey is JWNBRDUKVHEWIN-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15/h9,11,15H,2-7,12-14H2,1H3/b11-9+.
What are the key properties of (E)-4-dec-2-ynoxybut-2-en-1-ol?
(E)-4-dec-2-ynoxybut-2-en-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-dec-2-ynoxybut-2-en-1-ol is sourced from PubChem (CID 11218372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).