methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate

C10H18O4 — CID 11063488

IUPACmethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate
SMILESCOC(=O)CCCCC1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-10(13-7-8-14-10)6-4-3-5-9(11)12-2/h3-8H2,1-2H3
InChIKeyNSNPSDBQQPJHNC-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds5

About methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate

methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate (PubChem CID 11063488) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate
PubChem CID11063488
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate
SMILESCOC(=O)CCCCC1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-10(13-7-8-14-10)6-4-3-5-9(11)12-2/h3-8H2,1-2H3
InChIKeyNSNPSDBQQPJHNC-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate?
The IUPAC name of methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate (CID 11063488) is methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate.
What is the SMILES notation for methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate?
The canonical SMILES for methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate is COC(=O)CCCCC1(C)OCCO1.
What is the InChIKey of methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate?
The InChIKey is NSNPSDBQQPJHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(13-7-8-14-10)6-4-3-5-9(11)12-2/h3-8H2,1-2H3.
What are the key properties of methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate?
methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methyl-1,3-dioxolan-2-yl)pentanoate is sourced from PubChem (CID 11063488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).