2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate

C14H26O4 — CID 20729077

IUPAC2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate
SMILESCOC(C)OCCOC(=O)CC1CCCCCC1
InChIInChI=1S/C14H26O4/c1-12(16-2)17-9-10-18-14(15)11-13-7-5-3-4-6-8-13/h12-13H,3-11H2,1-2H3
InChIKeyRMIVCVDYEUBMMU-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds7

About 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate

2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate (PubChem CID 20729077) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate
PubChem CID20729077
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate
SMILESCOC(C)OCCOC(=O)CC1CCCCCC1
InChIInChI=1S/C14H26O4/c1-12(16-2)17-9-10-18-14(15)11-13-7-5-3-4-6-8-13/h12-13H,3-11H2,1-2H3
InChIKeyRMIVCVDYEUBMMU-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dioxacycloheptadecane-5,17-dione, 7-methyl-
CID 175157
7-Methyl-1,4-dioxacyclohexadecane-5,16-dione
CID 20290371
Ethyl 3-(diethoxymethyl)heptanoate
CID 12859643
Methyl cis-3-ethyl oxirane octanoate
CID 129887351
1-acetyloxyethyl (2R)-2-propyloctanoate
CID 11514593
Methyl 8,8-dimethoxy-2-methyloctanoate
CID 14178182
[Acetyloxy(cycloheptyl)methyl] acetate
CID 19069496
6-Ethyl-1,4-dioxacycloheptadecane-5,17-dione
CID 19702286
7-Methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 20290369
2-(1-Methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate
CID 20729065
2-(1-Methoxyethoxy)ethyl 2-cyclohexylacetate
CID 20729078
2-(1-Methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate
CID 20729079

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate (CID 20729077) is 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate is COC(C)OCCOC(=O)CC1CCCCCC1.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate?
The InChIKey is RMIVCVDYEUBMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-12(16-2)17-9-10-18-14(15)11-13-7-5-3-4-6-8-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate?
2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate has a molecular weight of 258.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethyl 2-cycloheptylacetate is sourced from PubChem (CID 20729077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).