[3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate

C19H30O4 — CID 20731207

IUPAC[3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(CCCCCC2COC(=O)C2)C1
InChIInChI=1S/C19H30O4/c1-14(2)19(21)23-17-10-6-9-15(11-17)7-4-3-5-8-16-12-18(20)22-13-16/h15-17H,1,3-13H2,2H3
InChIKeyJOTWJRTWZBFDLG-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.18
Rot. Bonds8

About [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate

[3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 20731207) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate
PubChem CID20731207
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name[3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(CCCCCC2COC(=O)C2)C1
InChIInChI=1S/C19H30O4/c1-14(2)19(21)23-17-10-6-9-15(11-17)7-4-3-5-8-16-12-18(20)22-13-16/h15-17H,1,3-13H2,2H3
InChIKeyJOTWJRTWZBFDLG-UHFFFAOYSA-N
XLogP4.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate (CID 20731207) is [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(CCCCCC2COC(=O)C2)C1.
What is the InChIKey of [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is JOTWJRTWZBFDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-14(2)19(21)23-17-10-6-9-15(11-17)7-4-3-5-8-16-12-18(20)22-13-16/h15-17H,1,3-13H2,2H3.
What are the key properties of [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate?
[3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 322.45 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(5-oxooxolan-3-yl)pentyl]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20731207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).