4-methylidene-2-propoxyhex-1-en-3-one

C10H16O2 — CID 101461882

IUPAC4-methylidene-2-propoxyhex-1-en-3-one
SMILESC=C(CC)C(=O)C(=C)OCCC
InChIInChI=1S/C10H16O2/c1-5-7-12-9(4)10(11)8(3)6-2/h3-7H2,1-2H3
InChIKeyYYRDFQRJVLUFTF-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds6

About 4-methylidene-2-propoxyhex-1-en-3-one

4-methylidene-2-propoxyhex-1-en-3-one (PubChem CID 101461882) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methylidene-2-propoxyhex-1-en-3-one.

Molecular Properties

Compound Name4-methylidene-2-propoxyhex-1-en-3-one
PubChem CID101461882
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methylidene-2-propoxyhex-1-en-3-one
SMILESC=C(CC)C(=O)C(=C)OCCC
InChIInChI=1S/C10H16O2/c1-5-7-12-9(4)10(11)8(3)6-2/h3-7H2,1-2H3
InChIKeyYYRDFQRJVLUFTF-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-3-methylene-2-pentanone
CID 13932051
2-Ethoxy-4-methylpenta-1,4-dien-3-one
CID 71377798
(4E)-2-ethoxy-4-ethyl-6,6-dimethylhepta-1,4-dien-3-one
CID 134879313
(4E)-2-ethoxy-4-ethylhepta-1,4-dien-3-one
CID 134895517
2,4-Diethyl-furan-3-one
CID 24972499
4-Ethylfuran-3-one
CID 13759282
1-Butan-2-yloxy-3-methylbut-3-en-2-one
CID 21020569
Ethyl 3-ethyl-2-oxo-3-butenoate
CID 21529899
4-Ethoxy-2-methylpent-1-en-3-one
CID 22267002
2-Methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxypent-1-en-3-one
CID 57020250
4-(3-Methoxy-3-methylbutoxy)-2,4-dimethylpent-1-en-3-one
CID 87693671
4-Methyl-1-(4-methyl-2,3-dioxopent-4-enoxy)pent-4-ene-2,3-dione
CID 88423884

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-propoxyhex-1-en-3-one?
The IUPAC name of 4-methylidene-2-propoxyhex-1-en-3-one (CID 101461882) is 4-methylidene-2-propoxyhex-1-en-3-one.
What is the SMILES notation for 4-methylidene-2-propoxyhex-1-en-3-one?
The canonical SMILES for 4-methylidene-2-propoxyhex-1-en-3-one is C=C(CC)C(=O)C(=C)OCCC.
What is the InChIKey of 4-methylidene-2-propoxyhex-1-en-3-one?
The InChIKey is YYRDFQRJVLUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-7-12-9(4)10(11)8(3)6-2/h3-7H2,1-2H3.
What are the key properties of 4-methylidene-2-propoxyhex-1-en-3-one?
4-methylidene-2-propoxyhex-1-en-3-one has a molecular weight of 168.24 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-propoxyhex-1-en-3-one is sourced from PubChem (CID 101461882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).