6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate

C20H30O4 — CID 21330288

IUPAC6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C20H30O4/c1-16(2)20(21)22-15-9-3-4-14-19(23-17-10-5-6-11-17)24-18-12-7-8-13-18/h10,12,19H,1,3-9,11,13-15H2,2H3
InChIKeyPCBJAMVWGKSOKQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.16
Rot. Bonds11

About 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate

6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate (PubChem CID 21330288) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
PubChem CID21330288
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C20H30O4/c1-16(2)20(21)22-15-9-3-4-14-19(23-17-10-5-6-11-17)24-18-12-7-8-13-18/h10,12,19H,1,3-9,11,13-15H2,2H3
InChIKeyPCBJAMVWGKSOKQ-UHFFFAOYSA-N
XLogP5.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.16
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

2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174380078
di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate
CID 54163706
5,5-diethoxypentyl 2-methylprop-2-enoate
CID 123206494
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-[10-(2-methylprop-2-enoyloxy)decyl]propanedioic acid
CID 14453192
5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 159760360
[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate
CID 23046622
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
8-methylnonyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxetane
CID 175474379
6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175

Frequently Asked Questions

What is the IUPAC name of 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate?
The IUPAC name of 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate (CID 21330288) is 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate?
The InChIKey is PCBJAMVWGKSOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-16(2)20(21)22-15-9-3-4-14-19(23-17-10-5-6-11-17)24-18-12-7-8-13-18/h10,12,19H,1,3-9,11,13-15H2,2H3.
What are the key properties of 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate?
6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate has a molecular weight of 334.46 g/mol, XLogP of 5.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 21330288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).