1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate

C17H26O4 — CID 58321887

IUPAC1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate
SMILESCC=C(OC(=O)C1CCCCC1)OC(=O)C1CCCCC1
InChIInChI=1S/C17H26O4/c1-2-15(20-16(18)13-9-5-3-6-10-13)21-17(19)14-11-7-4-8-12-14/h2,13-14H,3-12H2,1H3
InChIKeyVRGXHSTVXPZHFS-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.09
Rot. Bonds4

About 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate

1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate (PubChem CID 58321887) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate.

Molecular Properties

Compound Name1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate
PubChem CID58321887
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate
SMILESCC=C(OC(=O)C1CCCCC1)OC(=O)C1CCCCC1
InChIInChI=1S/C17H26O4/c1-2-15(20-16(18)13-9-5-3-6-10-13)21-17(19)14-11-7-4-8-12-14/h2,13-14H,3-12H2,1H3
InChIKeyVRGXHSTVXPZHFS-UHFFFAOYSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate?
The IUPAC name of 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate (CID 58321887) is 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate.
What is the SMILES notation for 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate?
The canonical SMILES for 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate is CC=C(OC(=O)C1CCCCC1)OC(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate?
The InChIKey is VRGXHSTVXPZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-2-15(20-16(18)13-9-5-3-6-10-13)21-17(19)14-11-7-4-8-12-14/h2,13-14H,3-12H2,1H3.
What are the key properties of 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate?
1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate has a molecular weight of 294.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate is sourced from PubChem (CID 58321887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).