di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate

C15H20O4 — CID 54163706

IUPACdi(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C15H20O4/c1-11(2)14(16)19-15(17-12-7-3-4-8-12)18-13-9-5-6-10-13/h7,9,15H,1,3-6,8,10H2,2H3
InChIKeyOQEOYWQDMHWOLJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.56
Rot. Bonds6

About di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate

di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate (PubChem CID 54163706) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedi(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate
PubChem CID54163706
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namedi(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C15H20O4/c1-11(2)14(16)19-15(17-12-7-3-4-8-12)18-13-9-5-6-10-13/h7,9,15H,1,3-6,8,10H2,2H3
InChIKeyOQEOYWQDMHWOLJ-UHFFFAOYSA-N
XLogP3.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
CID 21330288
2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174380078
5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 159760360
cyclopenten-1-yl acetate
CID 4640893
methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
CID 143834455
methyl 3,3-di(cyclopenten-1-yloxy)-2-methylidenebutanoate
CID 118539845
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
CID 157373430
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
2,2-di(cyclopenten-1-yloxy)ethyl 4,4,4-trifluoro-2-methylbut-2-enoate
CID 175419222
propan-2-yl 2-methylprop-2-enoate
CID 146421311
2,2-di(cyclopenten-1-yloxy)ethyl butanoate
CID 22715421

Frequently Asked Questions

What is the IUPAC name of di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate?
The IUPAC name of di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate (CID 54163706) is di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate.
What is the SMILES notation for di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate?
The canonical SMILES for di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate?
The InChIKey is OQEOYWQDMHWOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(2)14(16)19-15(17-12-7-3-4-8-12)18-13-9-5-6-10-13/h7,9,15H,1,3-6,8,10H2,2H3.
What are the key properties of di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate?
di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 54163706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).