(Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one

C14H24O3 — CID 68527447

IUPAC(Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one
SMILESCCCCCCC(=O)/C=C\CC1(C)OCCO1
InChIInChI=1S/C14H24O3/c1-3-4-5-6-8-13(15)9-7-10-14(2)16-11-12-17-14/h7,9H,3-6,8,10-12H2,1-2H3/b9-7-
InChIKeyMZWLTGYLBOERBE-CLFYSBASSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds8

About (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one

(Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one (PubChem CID 68527447) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one.

Molecular Properties

Compound Name(Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one
PubChem CID68527447
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one
SMILESCCCCCCC(=O)/C=C\CC1(C)OCCO1
InChIInChI=1S/C14H24O3/c1-3-4-5-6-8-13(15)9-7-10-14(2)16-11-12-17-14/h7,9H,3-6,8,10-12H2,1-2H3/b9-7-
InChIKeyMZWLTGYLBOERBE-CLFYSBASSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one?
The IUPAC name of (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one (CID 68527447) is (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one.
What is the SMILES notation for (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one?
The canonical SMILES for (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one is CCCCCCC(=O)/C=C\CC1(C)OCCO1.
What is the InChIKey of (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one?
The InChIKey is MZWLTGYLBOERBE-CLFYSBASSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-4-5-6-8-13(15)9-7-10-14(2)16-11-12-17-14/h7,9H,3-6,8,10-12H2,1-2H3/b9-7-.
What are the key properties of (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one?
(Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one has a molecular weight of 240.34 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one is sourced from PubChem (CID 68527447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).