7-(1,3-dioxolan-2-yl)hept-1-en-4-one

C10H16O3 — CID 11513877

IUPAC7-(1,3-dioxolan-2-yl)hept-1-en-4-one
SMILESC=CCC(=O)CCCC1OCCO1
InChIInChI=1S/C10H16O3/c1-2-4-9(11)5-3-6-10-12-7-8-13-10/h2,10H,1,3-8H2
InChIKeyUXHJVGBHKNISGW-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds6

About 7-(1,3-dioxolan-2-yl)hept-1-en-4-one

7-(1,3-dioxolan-2-yl)hept-1-en-4-one (PubChem CID 11513877) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 7-(1,3-dioxolan-2-yl)hept-1-en-4-one.

Molecular Properties

Compound Name7-(1,3-dioxolan-2-yl)hept-1-en-4-one
PubChem CID11513877
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name7-(1,3-dioxolan-2-yl)hept-1-en-4-one
SMILESC=CCC(=O)CCCC1OCCO1
InChIInChI=1S/C10H16O3/c1-2-4-9(11)5-3-6-10-12-7-8-13-10/h2,10H,1,3-8H2
InChIKeyUXHJVGBHKNISGW-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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Related Compounds

(Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one
CID 131857971
3-[2-(1,3-Dioxolan-2-yl)ethyl]hept-6-en-2-one
CID 23254610
6-(1,3-Dioxolan-2-yl)hex-1-ene-3,4-dione
CID 70012430
1-(2-Methyl-1,3-dioxolan-2-yl)-6-hepten-3-one
CID 13599390
1-(1,3-Dioxolan-2-yl)-6-hepten-3-one
CID 24975471
(Z)-1-([1,3]dioxolan-2-yl)-dec-6-en-3-one
CID 24977179
1-(1,3-Dioxolan-2-yl)hept-6-en-2-one
CID 103543706
1-(1,3-Dioxolan-2-yl)hex-5-en-2-one
CID 103543707
1-(1,3-Dioxolan-2-yl)-4-methylidenehexan-2-one
CID 103543751
1-(1,3-Dioxolan-2-yl)-5-methylhex-5-en-2-one
CID 103543831
1-(1,3-Dioxolan-2-yl)non-8-en-2-one
CID 107011030

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxolan-2-yl)hept-1-en-4-one?
The IUPAC name of 7-(1,3-dioxolan-2-yl)hept-1-en-4-one (CID 11513877) is 7-(1,3-dioxolan-2-yl)hept-1-en-4-one.
What is the SMILES notation for 7-(1,3-dioxolan-2-yl)hept-1-en-4-one?
The canonical SMILES for 7-(1,3-dioxolan-2-yl)hept-1-en-4-one is C=CCC(=O)CCCC1OCCO1.
What is the InChIKey of 7-(1,3-dioxolan-2-yl)hept-1-en-4-one?
The InChIKey is UXHJVGBHKNISGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-4-9(11)5-3-6-10-12-7-8-13-10/h2,10H,1,3-8H2.
What are the key properties of 7-(1,3-dioxolan-2-yl)hept-1-en-4-one?
7-(1,3-dioxolan-2-yl)hept-1-en-4-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 7-(1,3-dioxolan-2-yl)hept-1-en-4-one is sourced from PubChem (CID 11513877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).