ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate

C15H24O2 — CID 54087253

IUPACethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate
SMILESCCOC(=O)C(C)=CC1=C(C)CCC1C(C)C
InChIInChI=1S/C15H24O2/c1-6-17-15(16)12(5)9-14-11(4)7-8-13(14)10(2)3/h9-10,13H,6-8H2,1-5H3
InChIKeyMRIQSXMCHRWXKM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.88
Rot. Bonds4

About ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate

ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate (PubChem CID 54087253) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate
PubChem CID54087253
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate
SMILESCCOC(=O)C(C)=CC1=C(C)CCC1C(C)C
InChIInChI=1S/C15H24O2/c1-6-17-15(16)12(5)9-14-11(4)7-8-13(14)10(2)3/h9-10,13H,6-8H2,1-5H3
InChIKeyMRIQSXMCHRWXKM-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoate
CID 74412420
ethyl 3-[(3S,3aR,4S)-3-hydroxy-7-methyl-2,3,3a,4,5,6-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate
CID 66676250
ethyl 2-methyl-3-(propan-2-ylamino)prop-2-enoate
CID 171480672
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
ethyl 3-(2-adamantyl)-2-methylprop-2-enoate
CID 66689875
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
diethyl 2-cyclopropylidenebutanedioate
CID 69133715
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
CID 10488247
ethyl (E)-2-methylpent-2-enoate
CID 6436311
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate?
The IUPAC name of ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate (CID 54087253) is ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate is CCOC(=O)C(C)=CC1=C(C)CCC1C(C)C.
What is the InChIKey of ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate?
The InChIKey is MRIQSXMCHRWXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-17-15(16)12(5)9-14-11(4)7-8-13(14)10(2)3/h9-10,13H,6-8H2,1-5H3.
What are the key properties of ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate?
ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate is sourced from PubChem (CID 54087253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).