ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate

C14H24O3 — CID 115002709

IUPACethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate
SMILESCCOC(=O)C(C)COCC1CC=CCC1C
InChIInChI=1S/C14H24O3/c1-4-17-14(15)12(3)9-16-10-13-8-6-5-7-11(13)2/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyDTXPHHJESPPQRJ-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.80
Rot. Bonds6

About ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate

ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate (PubChem CID 115002709) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate
PubChem CID115002709
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate
SMILESCCOC(=O)C(C)COCC1CC=CCC1C
InChIInChI=1S/C14H24O3/c1-4-17-14(15)12(3)9-16-10-13-8-6-5-7-11(13)2/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyDTXPHHJESPPQRJ-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-oxobutanoate
CID 63893049
1-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-2-one
CID 62044489
1-(2-hydroxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60634582
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
1-[(2,2-dimethylcyclopropyl)amino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 61221366
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone
CID 62030802
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
CID 62455176
ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806
2-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]butanoic acid
CID 114988327
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63964083

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate?
The IUPAC name of ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate (CID 115002709) is ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate is CCOC(=O)C(C)COCC1CC=CCC1C.
What is the InChIKey of ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate?
The InChIKey is DTXPHHJESPPQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-17-14(15)12(3)9-16-10-13-8-6-5-7-11(13)2/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate?
ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate has a molecular weight of 240.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate is sourced from PubChem (CID 115002709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).