4-[(Z)-oct-5-enoxy]butan-1-ol

C12H24O2 — CID 175496457

IUPAC4-[(Z)-oct-5-enoxy]butan-1-ol
SMILESCC/C=C\CCCCOCCCCO
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-8-11-14-12-9-7-10-13/h3-4,13H,2,5-12H2,1H3/b4-3-
InChIKeyQZCCJESBCOSLMI-ARJAWSKDSA-N
MW200.32 g/mol
LogP2.91
Rot. Bonds10

About 4-[(Z)-oct-5-enoxy]butan-1-ol

4-[(Z)-oct-5-enoxy]butan-1-ol (PubChem CID 175496457) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-[(Z)-oct-5-enoxy]butan-1-ol.

Molecular Properties

Compound Name4-[(Z)-oct-5-enoxy]butan-1-ol
PubChem CID175496457
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-[(Z)-oct-5-enoxy]butan-1-ol
SMILESCC/C=C\CCCCOCCCCO
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-8-11-14-12-9-7-10-13/h3-4,13H,2,5-12H2,1H3/b4-3-
InChIKeyQZCCJESBCOSLMI-ARJAWSKDSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-oct-5-enoxy]butan-1-ol?
The IUPAC name of 4-[(Z)-oct-5-enoxy]butan-1-ol (CID 175496457) is 4-[(Z)-oct-5-enoxy]butan-1-ol.
What is the SMILES notation for 4-[(Z)-oct-5-enoxy]butan-1-ol?
The canonical SMILES for 4-[(Z)-oct-5-enoxy]butan-1-ol is CC/C=C\CCCCOCCCCO.
What is the InChIKey of 4-[(Z)-oct-5-enoxy]butan-1-ol?
The InChIKey is QZCCJESBCOSLMI-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-5-6-8-11-14-12-9-7-10-13/h3-4,13H,2,5-12H2,1H3/b4-3-.
What are the key properties of 4-[(Z)-oct-5-enoxy]butan-1-ol?
4-[(Z)-oct-5-enoxy]butan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-oct-5-enoxy]butan-1-ol is sourced from PubChem (CID 175496457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).