1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate

C18H22O4 — CID 54376869

IUPAC1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC)(OC1=CC=CC1)OC1=CC=CC1
InChIInChI=1S/C18H22O4/c1-4-13-18(22-17(19)14(2)3,20-15-9-5-6-10-15)21-16-11-7-8-12-16/h5-9,11H,2,4,10,12-13H2,1,3H3
InChIKeyUXDDWJHCMWKLHP-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.28
Rot. Bonds8

About 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate

1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate (PubChem CID 54376869) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate
PubChem CID54376869
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC)(OC1=CC=CC1)OC1=CC=CC1
InChIInChI=1S/C18H22O4/c1-4-13-18(22-17(19)14(2)3,20-15-9-5-6-10-15)21-16-11-7-8-12-16/h5-9,11H,2,4,10,12-13H2,1,3H3
InChIKeyUXDDWJHCMWKLHP-UHFFFAOYSA-N
XLogP4.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.28
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

5-(Cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 134854697
CID 139213735
CID 139213735
[(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate
CID 162921901
[1,1-Di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate
CID 19417888
1,1-Di(cyclopenta-1,3-dien-1-yloxy)ethyl prop-2-enoate
CID 21843945
2,2-Di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
CID 22223388
1,1-Di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
CID 22263329
1,1-Di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate
CID 22643785
Cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
CID 22990289
1,1-Di(cyclopenta-1,3-dien-1-yloxy)propyl 2-methylprop-2-enoate
CID 53693688
1,1-Di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
CID 53737523
1,1-Di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate
CID 53747187

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate?
The IUPAC name of 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate (CID 54376869) is 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCC)(OC1=CC=CC1)OC1=CC=CC1.
What is the InChIKey of 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate?
The InChIKey is UXDDWJHCMWKLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-4-13-18(22-17(19)14(2)3,20-15-9-5-6-10-15)21-16-11-7-8-12-16/h5-9,11H,2,4,10,12-13H2,1,3H3.
What are the key properties of 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate?
1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate has a molecular weight of 302.37 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 54376869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).