5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate

C14H24O5 — CID 91695854

IUPAC5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate
SMILESCC(C)COC(=O)CCCC(=O)OCC1CCCO1
InChIInChI=1S/C14H24O5/c1-11(2)9-18-13(15)6-3-7-14(16)19-10-12-5-4-8-17-12/h11-12H,3-10H2,1-2H3
InChIKeyHUQWQKFTOKGSAE-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds8

About 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate

5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate (PubChem CID 91695854) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate.

Molecular Properties

Compound Name5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate
PubChem CID91695854
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate
SMILESCC(C)COC(=O)CCCC(=O)OCC1CCCO1
InChIInChI=1S/C14H24O5/c1-11(2)9-18-13(15)6-3-7-14(16)19-10-12-5-4-8-17-12/h11-12H,3-10H2,1-2H3
InChIKeyHUQWQKFTOKGSAE-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate?
The IUPAC name of 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate (CID 91695854) is 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate.
What is the SMILES notation for 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate?
The canonical SMILES for 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate is CC(C)COC(=O)CCCC(=O)OCC1CCCO1.
What is the InChIKey of 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate?
The InChIKey is HUQWQKFTOKGSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-11(2)9-18-13(15)6-3-7-14(16)19-10-12-5-4-8-17-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate?
5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate has a molecular weight of 272.34 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) pentanedioate is sourced from PubChem (CID 91695854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).