methyl 4-(1,3-dioxolan-2-yl)hexanoate

C10H18O4 — CID 15014807

IUPACmethyl 4-(1,3-dioxolan-2-yl)hexanoate
SMILESCCC(CCC(=O)OC)C1OCCO1
InChIInChI=1S/C10H18O4/c1-3-8(4-5-9(11)12-2)10-13-6-7-14-10/h8,10H,3-7H2,1-2H3
InChIKeyLFAFOZIXUAMJDR-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds5

About methyl 4-(1,3-dioxolan-2-yl)hexanoate

methyl 4-(1,3-dioxolan-2-yl)hexanoate (PubChem CID 15014807) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 4-(1,3-dioxolan-2-yl)hexanoate.

Molecular Properties

Compound Namemethyl 4-(1,3-dioxolan-2-yl)hexanoate
PubChem CID15014807
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 4-(1,3-dioxolan-2-yl)hexanoate
SMILESCCC(CCC(=O)OC)C1OCCO1
InChIInChI=1S/C10H18O4/c1-3-8(4-5-9(11)12-2)10-13-6-7-14-10/h8,10H,3-7H2,1-2H3
InChIKeyLFAFOZIXUAMJDR-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,3-dioxolan-2-yl)hexanoate?
The IUPAC name of methyl 4-(1,3-dioxolan-2-yl)hexanoate (CID 15014807) is methyl 4-(1,3-dioxolan-2-yl)hexanoate.
What is the SMILES notation for methyl 4-(1,3-dioxolan-2-yl)hexanoate?
The canonical SMILES for methyl 4-(1,3-dioxolan-2-yl)hexanoate is CCC(CCC(=O)OC)C1OCCO1.
What is the InChIKey of methyl 4-(1,3-dioxolan-2-yl)hexanoate?
The InChIKey is LFAFOZIXUAMJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-8(4-5-9(11)12-2)10-13-6-7-14-10/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 4-(1,3-dioxolan-2-yl)hexanoate?
methyl 4-(1,3-dioxolan-2-yl)hexanoate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,3-dioxolan-2-yl)hexanoate is sourced from PubChem (CID 15014807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).