dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate

C14H24O6 — CID 103973148

IUPACdimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate
SMILESCOC(=O)C(CCOCCO)(C(=O)OC)C1CCCC1
InChIInChI=1S/C14H24O6/c1-18-12(16)14(13(17)19-2,7-9-20-10-8-15)11-5-3-4-6-11/h11,15H,3-10H2,1-2H3
InChIKeySEMAWZBBUIKASD-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.91
Rot. Bonds8

About dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate

dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate (PubChem CID 103973148) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate
PubChem CID103973148
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namedimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate
SMILESCOC(=O)C(CCOCCO)(C(=O)OC)C1CCCC1
InChIInChI=1S/C14H24O6/c1-18-12(16)14(13(17)19-2,7-9-20-10-8-15)11-5-3-4-6-11/h11,15H,3-10H2,1-2H3
InChIKeySEMAWZBBUIKASD-UHFFFAOYSA-N
XLogP0.91
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294
4-(2-hydroxyethoxy)-2-methoxycarbonyl-2-methylbutanoic acid
CID 114899523
2-cyclopentyl-5,5,5-trifluoro-2-methoxycarbonylpentanoic acid
CID 103974632
2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
CID 103974712
2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
CID 113383105
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497
dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
CID 103973134
2-cyclopentyl-3-methoxy-2-(oxan-4-ylmethyl)-3-oxopropanoic acid
CID 103974672
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
CID 103974658
methyl 2-(aminomethyl)-4-butoxy-2-cyclopropylbutanoate
CID 106489481
3-cyclopentyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654438
[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane
CID 112571093

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate?
The IUPAC name of dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate (CID 103973148) is dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate.
What is the SMILES notation for dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate?
The canonical SMILES for dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate is COC(=O)C(CCOCCO)(C(=O)OC)C1CCCC1.
What is the InChIKey of dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate?
The InChIKey is SEMAWZBBUIKASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-18-12(16)14(13(17)19-2,7-9-20-10-8-15)11-5-3-4-6-11/h11,15H,3-10H2,1-2H3.
What are the key properties of dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate?
dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate has a molecular weight of 288.34 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate is sourced from PubChem (CID 103973148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).