[2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate

C18H28O4 — CID 24959015

IUPAC[2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate
SMILESCC/C=C/CC(=O)OC1CCCCC1OC(=O)C/C=C/CC
InChIInChI=1S/C18H28O4/c1-3-5-7-13-17(19)21-15-11-9-10-12-16(15)22-18(20)14-8-6-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3/b7-5+,8-6+
InChIKeyCKKRVVZAJLGHRI-KQQUZDAGSA-N
MW308.42 g/mol
LogP4.10
Rot. Bonds8

About [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate

[2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate (PubChem CID 24959015) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate.

Molecular Properties

Compound Name[2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate
PubChem CID24959015
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name[2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate
SMILESCC/C=C/CC(=O)OC1CCCCC1OC(=O)C/C=C/CC
InChIInChI=1S/C18H28O4/c1-3-5-7-13-17(19)21-15-11-9-10-12-16(15)22-18(20)14-8-6-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3/b7-5+,8-6+
InChIKeyCKKRVVZAJLGHRI-KQQUZDAGSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 10513133
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CID 164307655
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CID 164471083
CID 164471083
CID 164474877
CID 164474877
CID 18760916
CID 18760916
CID 22630162
CID 22630162
CID 24958286
CID 24958286
CID 24959381
CID 24959381
CID 24959744
CID 24959744
CID 54309585
CID 54309585

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate?
The IUPAC name of [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate (CID 24959015) is [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate.
What is the SMILES notation for [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate?
The canonical SMILES for [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate is CC/C=C/CC(=O)OC1CCCCC1OC(=O)C/C=C/CC.
What is the InChIKey of [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate?
The InChIKey is CKKRVVZAJLGHRI-KQQUZDAGSA-N. The full InChI is InChI=1S/C18H28O4/c1-3-5-7-13-17(19)21-15-11-9-10-12-16(15)22-18(20)14-8-6-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3/b7-5+,8-6+.
What are the key properties of [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate?
[2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate has a molecular weight of 308.42 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-hex-3-enoyl]oxycyclohexyl] (E)-hex-3-enoate is sourced from PubChem (CID 24959015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).