3-[(Z)-hex-3-enoxy]hexanal

C12H22O2 — CID 102009856

IUPAC3-[(Z)-hex-3-enoxy]hexanal
SMILESCC/C=C\CCOC(CC=O)CCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-11-14-12(8-4-2)9-10-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3/b6-5-
InChIKeyDCWWFHSMVGEEBU-WAYWQWQTSA-N
MW198.31 g/mol
LogP3.12
Rot. Bonds9

About 3-[(Z)-hex-3-enoxy]hexanal

3-[(Z)-hex-3-enoxy]hexanal (PubChem CID 102009856) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(Z)-hex-3-enoxy]hexanal.

Molecular Properties

Compound Name3-[(Z)-hex-3-enoxy]hexanal
PubChem CID102009856
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-[(Z)-hex-3-enoxy]hexanal
SMILESCC/C=C\CCOC(CC=O)CCC
InChIInChI=1S/C12H22O2/c1-3-5-6-7-11-14-12(8-4-2)9-10-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3/b6-5-
InChIKeyDCWWFHSMVGEEBU-WAYWQWQTSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 3-[(Z)-hex-3-enoxy]hexanal?
The IUPAC name of 3-[(Z)-hex-3-enoxy]hexanal (CID 102009856) is 3-[(Z)-hex-3-enoxy]hexanal.
What is the SMILES notation for 3-[(Z)-hex-3-enoxy]hexanal?
The canonical SMILES for 3-[(Z)-hex-3-enoxy]hexanal is CC/C=C\CCOC(CC=O)CCC.
What is the InChIKey of 3-[(Z)-hex-3-enoxy]hexanal?
The InChIKey is DCWWFHSMVGEEBU-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-6-7-11-14-12(8-4-2)9-10-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3/b6-5-.
What are the key properties of 3-[(Z)-hex-3-enoxy]hexanal?
3-[(Z)-hex-3-enoxy]hexanal has a molecular weight of 198.31 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hex-3-enoxy]hexanal is sourced from PubChem (CID 102009856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).