oxolan-2-ylmethyl 3-methylbutanoate

C10H18O3 — CID 3022475

IUPACoxolan-2-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCCO1
InChIInChI=1S/C10H18O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h8-9H,3-7H2,1-2H3
InChIKeyJBXNPSNIQOJUOE-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds4

About oxolan-2-ylmethyl 3-methylbutanoate

oxolan-2-ylmethyl 3-methylbutanoate (PubChem CID 3022475) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-methylbutanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-methylbutanoate
PubChem CID3022475
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameoxolan-2-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCCO1
InChIInChI=1S/C10H18O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h8-9H,3-7H2,1-2H3
InChIKeyJBXNPSNIQOJUOE-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-methylbutanoate?
The IUPAC name of oxolan-2-ylmethyl 3-methylbutanoate (CID 3022475) is oxolan-2-ylmethyl 3-methylbutanoate.
What is the SMILES notation for oxolan-2-ylmethyl 3-methylbutanoate?
The canonical SMILES for oxolan-2-ylmethyl 3-methylbutanoate is CC(C)CC(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 3-methylbutanoate?
The InChIKey is JBXNPSNIQOJUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h8-9H,3-7H2,1-2H3.
What are the key properties of oxolan-2-ylmethyl 3-methylbutanoate?
oxolan-2-ylmethyl 3-methylbutanoate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-methylbutanoate is sourced from PubChem (CID 3022475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).