1-(1,3-dioxolan-2-yl)hept-6-en-3-one

C10H16O3 — CID 24975471

IUPAC1-(1,3-dioxolan-2-yl)hept-6-en-3-one
SMILESC=CCCC(=O)CCC1OCCO1
InChIInChI=1S/C10H16O3/c1-2-3-4-9(11)5-6-10-12-7-8-13-10/h2,10H,1,3-8H2
InChIKeyIMGPPWUTUPGUAH-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds6

About 1-(1,3-dioxolan-2-yl)hept-6-en-3-one

1-(1,3-dioxolan-2-yl)hept-6-en-3-one (PubChem CID 24975471) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)hept-6-en-3-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)hept-6-en-3-one
PubChem CID24975471
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(1,3-dioxolan-2-yl)hept-6-en-3-one
SMILESC=CCCC(=O)CCC1OCCO1
InChIInChI=1S/C10H16O3/c1-2-3-4-9(11)5-6-10-12-7-8-13-10/h2,10H,1,3-8H2
InChIKeyIMGPPWUTUPGUAH-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
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 1-(1,3-dioxolan-2-yl)hept-6-en-3-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)hept-6-en-3-one (CID 24975471) is 1-(1,3-dioxolan-2-yl)hept-6-en-3-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)hept-6-en-3-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)hept-6-en-3-one is C=CCCC(=O)CCC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)hept-6-en-3-one?
The InChIKey is IMGPPWUTUPGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-9(11)5-6-10-12-7-8-13-10/h2,10H,1,3-8H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)hept-6-en-3-one?
1-(1,3-dioxolan-2-yl)hept-6-en-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)hept-6-en-3-one is sourced from PubChem (CID 24975471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).