5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one

C12H20O3 — CID 150617159

IUPAC5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC=CCCCCC1OC(C)(C)OC1=O
InChIInChI=1S/C12H20O3/c1-4-5-6-7-8-9-10-11(13)15-12(2,3)14-10/h4-5,10H,6-9H2,1-3H3
InChIKeyIVCYZLUEABTOEC-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.80
Rot. Bonds5

About 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one

5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 150617159) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID150617159
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC=CCCCCC1OC(C)(C)OC1=O
InChIInChI=1S/C12H20O3/c1-4-5-6-7-8-9-10-11(13)15-12(2,3)14-10/h4-5,10H,6-9H2,1-3H3
InChIKeyIVCYZLUEABTOEC-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one (CID 150617159) is 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one is CC=CCCCCC1OC(C)(C)OC1=O.
What is the InChIKey of 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is IVCYZLUEABTOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-5-6-7-8-9-10-11(13)15-12(2,3)14-10/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one?
5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 212.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hept-5-enyl-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 150617159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).