4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid

C18H24O6 — CID 157373430

IUPAC4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
SMILESC=C(CC(OC1=CCCC1)OC1=CCCC1)C(=O)O.C=CC(=O)O
InChIInChI=1S/C15H20O4.C3H4O2/c1-11(15(16)17)10-14(18-12-6-2-3-7-12)19-13-8-4-5-9-13;1-2-3(4)5/h6,8,14H,1-5,7,9-10H2,(H,16,17);2H,1H2,(H,4,5)
InChIKeyBKANOLFEWSXSKZ-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.77
Rot. Bonds8

About 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid

4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid (PubChem CID 157373430) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
PubChem CID157373430
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
SMILESC=C(CC(OC1=CCCC1)OC1=CCCC1)C(=O)O.C=CC(=O)O
InChIInChI=1S/C15H20O4.C3H4O2/c1-11(15(16)17)10-14(18-12-6-2-3-7-12)19-13-8-4-5-9-13;1-2-3(4)5/h6,8,14H,1-5,7,9-10H2,(H,16,17);2H,1H2,(H,4,5)
InChIKeyBKANOLFEWSXSKZ-UHFFFAOYSA-N
XLogP3.77
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
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

4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
CID 18458437
5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 159760360
2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
CID 57030834
2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
CID 142748718
2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174380078
4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol
CID 66645575
2-methylidene-4,4-diphenoxybutanoic acid
CID 90113490
2-[1,1-di(cyclopenten-1-yl)ethyl]-2-(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid
CID 70479524
6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
CID 21330288
2,2-di(cyclopenten-1-yloxy)ethyl butanoate
CID 22715421
1-[1-(cyclopenten-1-yloxy)pent-3-enoxy]cyclopentene
CID 140991633
prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate
CID 66692212

Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid?
The IUPAC name of 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid (CID 157373430) is 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid.
What is the SMILES notation for 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid?
The canonical SMILES for 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid is C=C(CC(OC1=CCCC1)OC1=CCCC1)C(=O)O.C=CC(=O)O.
What is the InChIKey of 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid?
The InChIKey is BKANOLFEWSXSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4.C3H4O2/c1-11(15(16)17)10-14(18-12-6-2-3-7-12)19-13-8-4-5-9-13;1-2-3(4)5/h6,8,14H,1-5,7,9-10H2,(H,16,17);2H,1H2,(H,4,5).
What are the key properties of 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid?
4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid has a molecular weight of 336.38 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid is sourced from PubChem (CID 157373430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).