dimethyl 2-(oxolan-2-yl)butanedioate

C10H16O5 — CID 3877780

IUPACdimethyl 2-(oxolan-2-yl)butanedioate
SMILESCOC(=O)CC(C(=O)OC)C1CCCO1
InChIInChI=1S/C10H16O5/c1-13-9(11)6-7(10(12)14-2)8-4-3-5-15-8/h7-8H,3-6H2,1-2H3
InChIKeyRZLANYYCSVEMPQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.52
Rot. Bonds4

About dimethyl 2-(oxolan-2-yl)butanedioate

dimethyl 2-(oxolan-2-yl)butanedioate (PubChem CID 3877780) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is dimethyl 2-(oxolan-2-yl)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(oxolan-2-yl)butanedioate
PubChem CID3877780
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namedimethyl 2-(oxolan-2-yl)butanedioate
SMILESCOC(=O)CC(C(=O)OC)C1CCCO1
InChIInChI=1S/C10H16O5/c1-13-9(11)6-7(10(12)14-2)8-4-3-5-15-8/h7-8H,3-6H2,1-2H3
InChIKeyRZLANYYCSVEMPQ-UHFFFAOYSA-N
XLogP0.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate
CID 82836802
methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate
CID 10943229
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
ethyl 3-hydroxy-3-(oxolan-2-yl)propanoate
CID 82837463
methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate
CID 82837807
ethyl 3-(ethylamino)-3-(oxolan-2-yl)propanoate
CID 82837469
dimethyl 2-cyclohex-2-en-1-ylbutanedioate
CID 121012501
O-methyl 2-(oxan-2-yl)butanethioate
CID 141336671
2-hydroxy-2-(oxolan-2-yl)acetamide
CID 82837458
methyl 3-(oxolan-2-ylmethylsulfinyl)butanoate
CID 66115323
3-(oxolan-2-yl)butanoic acid
CID 3727496
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(oxolan-2-yl)butanedioate?
The IUPAC name of dimethyl 2-(oxolan-2-yl)butanedioate (CID 3877780) is dimethyl 2-(oxolan-2-yl)butanedioate.
What is the SMILES notation for dimethyl 2-(oxolan-2-yl)butanedioate?
The canonical SMILES for dimethyl 2-(oxolan-2-yl)butanedioate is COC(=O)CC(C(=O)OC)C1CCCO1.
What is the InChIKey of dimethyl 2-(oxolan-2-yl)butanedioate?
The InChIKey is RZLANYYCSVEMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-9(11)6-7(10(12)14-2)8-4-3-5-15-8/h7-8H,3-6H2,1-2H3.
What are the key properties of dimethyl 2-(oxolan-2-yl)butanedioate?
dimethyl 2-(oxolan-2-yl)butanedioate has a molecular weight of 216.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(oxolan-2-yl)butanedioate is sourced from PubChem (CID 3877780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).