(6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one

C14H24O3 — CID 11817309

IUPAC(6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one
SMILESCC1OC/C=C/CCCCCCCCOC1=O
InChIInChI=1S/C14H24O3/c1-13-14(15)17-12-10-8-6-4-2-3-5-7-9-11-16-13/h7,9,13H,2-6,8,10-12H2,1H3/b9-7+
InChIKeyYWVYRIDOEZFUKL-VQHVLOKHSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds

About (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one

(6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one (PubChem CID 11817309) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one.

Molecular Properties

Compound Name(6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one
PubChem CID11817309
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one
SMILESCC1OC/C=C/CCCCCCCCOC1=O
InChIInChI=1S/C14H24O3/c1-13-14(15)17-12-10-8-6-4-2-3-5-7-9-11-16-13/h7,9,13H,2-6,8,10-12H2,1H3/b9-7+
InChIKeyYWVYRIDOEZFUKL-VQHVLOKHSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one?
The IUPAC name of (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one (CID 11817309) is (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one.
What is the SMILES notation for (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one?
The canonical SMILES for (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one is CC1OC/C=C/CCCCCCCCOC1=O.
What is the InChIKey of (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one?
The InChIKey is YWVYRIDOEZFUKL-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H24O3/c1-13-14(15)17-12-10-8-6-4-2-3-5-7-9-11-16-13/h7,9,13H,2-6,8,10-12H2,1H3/b9-7+.
What are the key properties of (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one?
(6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one has a molecular weight of 240.34 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-methyl-1,4-dioxacyclopentadec-6-en-2-one is sourced from PubChem (CID 11817309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).