4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one

C14H26O4 — CID 12988180

IUPAC4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one
SMILESCCCCCC(CCC)COCC1COC(=O)O1
InChIInChI=1S/C14H26O4/c1-3-5-6-8-12(7-4-2)9-16-10-13-11-17-14(15)18-13/h12-13H,3-11H2,1-2H3
InChIKeyLSUOZMORMLDRPB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.54
Rot. Bonds10

About 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one

4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one (PubChem CID 12988180) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one
PubChem CID12988180
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one
SMILESCCCCCC(CCC)COCC1COC(=O)O1
InChIInChI=1S/C14H26O4/c1-3-5-6-8-12(7-4-2)9-16-10-13-11-17-14(15)18-13/h12-13H,3-11H2,1-2H3
InChIKeyLSUOZMORMLDRPB-UHFFFAOYSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one (CID 12988180) is 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one is CCCCCC(CCC)COCC1COC(=O)O1.
What is the InChIKey of 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is LSUOZMORMLDRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-5-6-8-12(7-4-2)9-16-10-13-11-17-14(15)18-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one?
4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 258.36 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 12988180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).