methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate

C16H32O4 — CID 167660733

IUPACmethane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate
SMILESC.CCCCCCCCCC1(CC(=O)OC)OCCO1
InChIInChI=1S/C15H28O4.CH4/c1-3-4-5-6-7-8-9-10-15(13-14(16)17-2)18-11-12-19-15;/h3-13H2,1-2H3;1H4
InChIKeyRXNSKDMUDAICAA-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.07
Rot. Bonds10

About methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate

methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate (PubChem CID 167660733) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Namemethane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate
PubChem CID167660733
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Namemethane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate
SMILESC.CCCCCCCCCC1(CC(=O)OC)OCCO1
InChIInChI=1S/C15H28O4.CH4/c1-3-4-5-6-7-8-9-10-15(13-14(16)17-2)18-11-12-19-15;/h3-13H2,1-2H3;1H4
InChIKeyRXNSKDMUDAICAA-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.07
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 methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate (CID 167660733) is methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate is C.CCCCCCCCCC1(CC(=O)OC)OCCO1.
What is the InChIKey of methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is RXNSKDMUDAICAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4.CH4/c1-3-4-5-6-7-8-9-10-15(13-14(16)17-2)18-11-12-19-15;/h3-13H2,1-2H3;1H4.
What are the key properties of methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate?
methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 288.43 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 167660733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).