4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate

C17H24O4 — CID 18458437

IUPAC4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
SMILESC=CC(=O)OCCCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C17H24O4/c1-2-16(18)19-13-7-12-17(20-14-8-3-4-9-14)21-15-10-5-6-11-15/h2,8,10,17H,1,3-7,9,11-13H2
InChIKeyNQZYTHSYFORUOB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.99
Rot. Bonds9

About 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate

4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate (PubChem CID 18458437) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate.

Molecular Properties

Compound Name4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
PubChem CID18458437
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
SMILESC=CC(=O)OCCCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C17H24O4/c1-2-16(18)19-13-7-12-17(20-14-8-3-4-9-14)21-15-10-5-6-11-15/h2,8,10,17H,1,3-7,9,11-13H2
InChIKeyNQZYTHSYFORUOB-UHFFFAOYSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
CID 142748718
2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
CID 57030834
4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
CID 157373430
2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate
CID 141263807
4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
CID 87318411
butyl prop-2-enoate;1-chlorocyclobutene
CID 88629604
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol
CID 66645575
2,2-di(cyclopenten-1-yloxy)ethyl butanoate
CID 22715421
butyl prop-2-enoate;cyclobutene-1-carboxylic acid
CID 87104912

Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate?
The IUPAC name of 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate (CID 18458437) is 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate.
What is the SMILES notation for 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate?
The canonical SMILES for 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate is C=CC(=O)OCCCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate?
The InChIKey is NQZYTHSYFORUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-16(18)19-13-7-12-17(20-14-8-3-4-9-14)21-15-10-5-6-11-15/h2,8,10,17H,1,3-7,9,11-13H2.
What are the key properties of 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate?
4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate is sourced from PubChem (CID 18458437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).