[(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate

C14H22O2 — CID 71525786

IUPAC[(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate
SMILESC/C(CC(OC=O)C(C)C)=C1\CC=CCC1
InChIInChI=1S/C14H22O2/c1-11(2)14(16-10-15)9-12(3)13-7-5-4-6-8-13/h4-5,10-11,14H,6-9H2,1-3H3/b13-12-
InChIKeyFEYBETSHXUWBNA-SEYXRHQNSA-N
MW222.33 g/mol
LogP3.63
Rot. Bonds5

About [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate

[(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate (PubChem CID 71525786) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate.

Molecular Properties

Compound Name[(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate
PubChem CID71525786
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate
SMILESC/C(CC(OC=O)C(C)C)=C1\CC=CCC1
InChIInChI=1S/C14H22O2/c1-11(2)14(16-10-15)9-12(3)13-7-5-4-6-8-13/h4-5,10-11,14H,6-9H2,1-3H3/b13-12-
InChIKeyFEYBETSHXUWBNA-SEYXRHQNSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate?
The IUPAC name of [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate (CID 71525786) is [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate.
What is the SMILES notation for [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate?
The canonical SMILES for [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate is C/C(CC(OC=O)C(C)C)=C1\CC=CCC1.
What is the InChIKey of [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate?
The InChIKey is FEYBETSHXUWBNA-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)14(16-10-15)9-12(3)13-7-5-4-6-8-13/h4-5,10-11,14H,6-9H2,1-3H3/b13-12-.
What are the key properties of [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate?
[(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate has a molecular weight of 222.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate is sourced from PubChem (CID 71525786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).