cyclohexane;diethyl 2-(methoxymethyl)propanedioate

C15H28O5 — CID 174682479

IUPACcyclohexane;diethyl 2-(methoxymethyl)propanedioate
SMILESC1CCCCC1.CCOC(=O)C(COC)C(=O)OCC
InChIInChI=1S/C9H16O5.C6H12/c1-4-13-8(10)7(6-12-3)9(11)14-5-2;1-2-4-6-5-3-1/h7H,4-6H2,1-3H3;1-6H2
InChIKeyBYFGIJDRAQHGJM-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.72
Rot. Bonds6

About cyclohexane;diethyl 2-(methoxymethyl)propanedioate

cyclohexane;diethyl 2-(methoxymethyl)propanedioate (PubChem CID 174682479) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is cyclohexane;diethyl 2-(methoxymethyl)propanedioate.

Molecular Properties

Compound Namecyclohexane;diethyl 2-(methoxymethyl)propanedioate
PubChem CID174682479
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Namecyclohexane;diethyl 2-(methoxymethyl)propanedioate
SMILESC1CCCCC1.CCOC(=O)C(COC)C(=O)OCC
InChIInChI=1S/C9H16O5.C6H12/c1-4-13-8(10)7(6-12-3)9(11)14-5-2;1-2-4-6-5-3-1/h7H,4-6H2,1-3H3;1-6H2
InChIKeyBYFGIJDRAQHGJM-UHFFFAOYSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
diethyl 2-(iodomethyl)propanedioate
CID 71339629
1-O-ethyl 3-O-methyl (2S)-2-ethylpropanedioate
CID 34173637
ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
CID 116502070
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314
ethyl 2-(cyclooctanecarbonyl)pentanoate
CID 83043739
(cyclohexane);ethyl acetate
CID 173021642
pentadecakis(cyclohexane);ethyl acetate
CID 173010680
diethyl 2-but-2-ynylpropanedioate
CID 79460235

Frequently Asked Questions

What is the IUPAC name of cyclohexane;diethyl 2-(methoxymethyl)propanedioate?
The IUPAC name of cyclohexane;diethyl 2-(methoxymethyl)propanedioate (CID 174682479) is cyclohexane;diethyl 2-(methoxymethyl)propanedioate.
What is the SMILES notation for cyclohexane;diethyl 2-(methoxymethyl)propanedioate?
The canonical SMILES for cyclohexane;diethyl 2-(methoxymethyl)propanedioate is C1CCCCC1.CCOC(=O)C(COC)C(=O)OCC.
What is the InChIKey of cyclohexane;diethyl 2-(methoxymethyl)propanedioate?
The InChIKey is BYFGIJDRAQHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5.C6H12/c1-4-13-8(10)7(6-12-3)9(11)14-5-2;1-2-4-6-5-3-1/h7H,4-6H2,1-3H3;1-6H2.
What are the key properties of cyclohexane;diethyl 2-(methoxymethyl)propanedioate?
cyclohexane;diethyl 2-(methoxymethyl)propanedioate has a molecular weight of 288.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;diethyl 2-(methoxymethyl)propanedioate is sourced from PubChem (CID 174682479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).