2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate

C18H24O3 — CID 164944024

IUPAC2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate
SMILESC=C(C)COCOC(=O)/C(=C\C1=CCCC1)C1=CCCC1
InChIInChI=1S/C18H24O3/c1-14(2)12-20-13-21-18(19)17(16-9-5-6-10-16)11-15-7-3-4-8-15/h7,9,11H,1,3-6,8,10,12-13H2,2H3/b17-11-
InChIKeyWFLADGQROBVOBK-BOPFTXTBSA-N
MW288.39 g/mol
LogP4.23
Rot. Bonds7

About 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate

2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate (PubChem CID 164944024) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate
PubChem CID164944024
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate
SMILESC=C(C)COCOC(=O)/C(=C\C1=CCCC1)C1=CCCC1
InChIInChI=1S/C18H24O3/c1-14(2)12-20-13-21-18(19)17(16-9-5-6-10-16)11-15-7-3-4-8-15/h7,9,11H,1,3-6,8,10,12-13H2,2H3/b17-11-
InChIKeyWFLADGQROBVOBK-BOPFTXTBSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate
CID 69462579
ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate
CID 174744606
3-(cyclopenten-1-yl)but-3-en-2-one
CID 130028502
methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate
CID 57076411
cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate
CID 175035282
(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one
CID 70617483
ethyl (Z)-4-chloro-3-(cyclohexen-1-yl)-2-oxobut-3-enoate
CID 24854476
ethyl 2-acetyl-5-(cyclohexen-1-yl)-5-(diethylamino)penta-2,4-dienoate
CID 4009869
ethyl (Z)-2-(cyclopentene-1-carbonyl)but-2-enoate
CID 12736091
1-(1-butoxyethenyl)cyclopentene
CID 14296313
1-(cyclopenten-1-yl)ethanone;3-[(dimethylamino)methyl]but-3-en-2-one;ethane
CID 177013012
(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one
CID 15311444

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate?
The IUPAC name of 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate (CID 164944024) is 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate is C=C(C)COCOC(=O)/C(=C\C1=CCCC1)C1=CCCC1.
What is the InChIKey of 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate?
The InChIKey is WFLADGQROBVOBK-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H24O3/c1-14(2)12-20-13-21-18(19)17(16-9-5-6-10-16)11-15-7-3-4-8-15/h7,9,11H,1,3-6,8,10,12-13H2,2H3/b17-11-.
What are the key properties of 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate?
2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate has a molecular weight of 288.39 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate is sourced from PubChem (CID 164944024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).