[2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate

C18H28O4 — CID 24959016

IUPAC[2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate
SMILESC=CC(C)CC(=O)OC1CCCCC1OC(=O)CC(C)C=C
InChIInChI=1S/C18H28O4/c1-5-13(3)11-17(19)21-15-9-7-8-10-16(15)22-18(20)12-14(4)6-2/h5-6,13-16H,1-2,7-12H2,3-4H3
InChIKeyGACIPVNGBBPSIO-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.81
Rot. Bonds8

About [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate

[2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate (PubChem CID 24959016) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate.

Molecular Properties

Compound Name[2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate
PubChem CID24959016
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name[2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate
SMILESC=CC(C)CC(=O)OC1CCCCC1OC(=O)CC(C)C=C
InChIInChI=1S/C18H28O4/c1-5-13(3)11-17(19)21-15-9-7-8-10-16(15)22-18(20)12-14(4)6-2/h5-6,13-16H,1-2,7-12H2,3-4H3
InChIKeyGACIPVNGBBPSIO-UHFFFAOYSA-N
XLogP3.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate?
The IUPAC name of [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate (CID 24959016) is [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate.
What is the SMILES notation for [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate?
The canonical SMILES for [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate is C=CC(C)CC(=O)OC1CCCCC1OC(=O)CC(C)C=C.
What is the InChIKey of [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate?
The InChIKey is GACIPVNGBBPSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-5-13(3)11-17(19)21-15-9-7-8-10-16(15)22-18(20)12-14(4)6-2/h5-6,13-16H,1-2,7-12H2,3-4H3.
What are the key properties of [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate?
[2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate has a molecular weight of 308.42 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpent-4-enoyloxy)cyclohexyl] 3-methylpent-4-enoate is sourced from PubChem (CID 24959016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).