3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid

C14H24O5 — CID 113427264

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCOCCOCCOCCC1(C(=O)O)CC2CC2C1
InChIInChI=1S/C14H24O5/c1-17-4-5-19-7-6-18-3-2-14(13(15)16)9-11-8-12(11)10-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyGHHQJGOWSHGYRO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.56
Rot. Bonds10

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid

3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 113427264) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID113427264
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCOCCOCCOCCC1(C(=O)O)CC2CC2C1
InChIInChI=1S/C14H24O5/c1-17-4-5-19-7-6-18-3-2-14(13(15)16)9-11-8-12(11)10-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyGHHQJGOWSHGYRO-UHFFFAOYSA-N
XLogP1.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,2,2-Trifluoroethoxy)ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 80467821
1-O-ethyl 4-O-methyl 2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]butanedioate
CID 58501782
2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-methoxy-4-oxobutanoic acid
CID 58501786
(1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 58720022
3-[2-(2,2-Dimethylbutanoyloxy)ethylperoxymethyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 58901004
3-[2-(2,2-Dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 59693463
(1S,2R,3R,4R)-3-ethoxycarbonylspiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carboxylic acid
CID 67495270
(5S,6S)-6-ethoxycarbonylspiro[2.4]heptane-5-carboxylic acid
CID 69115314
6-Ethoxycarbonylspiro[2.4]heptane-5-carboxylic acid
CID 69115316
trans-6-(Ethoxycarbonyl)spiro[2.4]heptane-5-carboxylic acid
CID 69115320
3-Methoxycarbonylspiro[4.5]decane-2-carboxylic acid
CID 69438639
1-Ethoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 70162991

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid (CID 113427264) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid is COCCOCCOCCC1(C(=O)O)CC2CC2C1.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is GHHQJGOWSHGYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-17-4-5-19-7-6-18-3-2-14(13(15)16)9-11-8-12(11)10-14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 113427264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).