(Z)-6-butoxyhex-5-en-2-one

C10H18O2 — CID 58460815

IUPAC(Z)-6-butoxyhex-5-en-2-one
SMILESCCCCO/C=C\CCC(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-8-12-9-6-5-7-10(2)11/h6,9H,3-5,7-8H2,1-2H3/b9-6-
InChIKeyLAVUWIFJAGDNIX-TWGQIWQCSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds7

About (Z)-6-butoxyhex-5-en-2-one

(Z)-6-butoxyhex-5-en-2-one (PubChem CID 58460815) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z)-6-butoxyhex-5-en-2-one.

Molecular Properties

Compound Name(Z)-6-butoxyhex-5-en-2-one
PubChem CID58460815
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z)-6-butoxyhex-5-en-2-one
SMILESCCCCO/C=C\CCC(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-8-12-9-6-5-7-10(2)11/h6,9H,3-5,7-8H2,1-2H3/b9-6-
InChIKeyLAVUWIFJAGDNIX-TWGQIWQCSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-butoxyhex-5-en-2-one?
The IUPAC name of (Z)-6-butoxyhex-5-en-2-one (CID 58460815) is (Z)-6-butoxyhex-5-en-2-one.
What is the SMILES notation for (Z)-6-butoxyhex-5-en-2-one?
The canonical SMILES for (Z)-6-butoxyhex-5-en-2-one is CCCCO/C=C\CCC(C)=O.
What is the InChIKey of (Z)-6-butoxyhex-5-en-2-one?
The InChIKey is LAVUWIFJAGDNIX-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-8-12-9-6-5-7-10(2)11/h6,9H,3-5,7-8H2,1-2H3/b9-6-.
What are the key properties of (Z)-6-butoxyhex-5-en-2-one?
(Z)-6-butoxyhex-5-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-butoxyhex-5-en-2-one is sourced from PubChem (CID 58460815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).