(Z)-7-butoxyhept-6-en-2-one

C11H20O2 — CID 58460766

IUPAC(Z)-7-butoxyhept-6-en-2-one
SMILESCCCCO/C=C\CCCC(C)=O
InChIInChI=1S/C11H20O2/c1-3-4-9-13-10-7-5-6-8-11(2)12/h7,10H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyTVCNWBUFHFREPF-YFHOEESVSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds8

About (Z)-7-butoxyhept-6-en-2-one

(Z)-7-butoxyhept-6-en-2-one (PubChem CID 58460766) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-7-butoxyhept-6-en-2-one.

Molecular Properties

Compound Name(Z)-7-butoxyhept-6-en-2-one
PubChem CID58460766
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-7-butoxyhept-6-en-2-one
SMILESCCCCO/C=C\CCCC(C)=O
InChIInChI=1S/C11H20O2/c1-3-4-9-13-10-7-5-6-8-11(2)12/h7,10H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyTVCNWBUFHFREPF-YFHOEESVSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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)-7-butoxyhept-6-en-2-one?
The IUPAC name of (Z)-7-butoxyhept-6-en-2-one (CID 58460766) is (Z)-7-butoxyhept-6-en-2-one.
What is the SMILES notation for (Z)-7-butoxyhept-6-en-2-one?
The canonical SMILES for (Z)-7-butoxyhept-6-en-2-one is CCCCO/C=C\CCCC(C)=O.
What is the InChIKey of (Z)-7-butoxyhept-6-en-2-one?
The InChIKey is TVCNWBUFHFREPF-YFHOEESVSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-9-13-10-7-5-6-8-11(2)12/h7,10H,3-6,8-9H2,1-2H3/b10-7-.
What are the key properties of (Z)-7-butoxyhept-6-en-2-one?
(Z)-7-butoxyhept-6-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-butoxyhept-6-en-2-one is sourced from PubChem (CID 58460766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).