5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one

C15H26O3 — CID 101357390

IUPAC5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1(CCCCC)CCCCC
InChIInChI=1S/C15H26O3/c1-4-7-9-11-15(12-10-8-5-2)13(6-3)17-14(16)18-15/h6,13H,3-5,7-12H2,1-2H3
InChIKeyRBSISWCMCQSDKF-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.61
Rot. Bonds9

About 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one

5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one (PubChem CID 101357390) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one
PubChem CID101357390
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1(CCCCC)CCCCC
InChIInChI=1S/C15H26O3/c1-4-7-9-11-15(12-10-8-5-2)13(6-3)17-14(16)18-15/h6,13H,3-5,7-12H2,1-2H3
InChIKeyRBSISWCMCQSDKF-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.61
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-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one?
The IUPAC name of 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one (CID 101357390) is 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one.
What is the SMILES notation for 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one?
The canonical SMILES for 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one is C=CC1OC(=O)OC1(CCCCC)CCCCC.
What is the InChIKey of 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one?
The InChIKey is RBSISWCMCQSDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-7-9-11-15(12-10-8-5-2)13(6-3)17-14(16)18-15/h6,13H,3-5,7-12H2,1-2H3.
What are the key properties of 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one?
5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one has a molecular weight of 254.37 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4,4-dipentyl-1,3-dioxolan-2-one is sourced from PubChem (CID 101357390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).