2-(4-tert-butylcyclohexylidene)ethenyl acetate

C14H22O2 — CID 44520663

IUPAC2-(4-tert-butylcyclohexylidene)ethenyl acetate
SMILESCC(=O)OC=C=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H22O2/c1-11(15)16-10-9-12-5-7-13(8-6-12)14(2,3)4/h10,13H,5-8H2,1-4H3
InChIKeyYSYBEFPNSKJARH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.82
Rot. Bonds1

About 2-(4-tert-butylcyclohexylidene)ethenyl acetate

2-(4-tert-butylcyclohexylidene)ethenyl acetate (PubChem CID 44520663) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexylidene)ethenyl acetate.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexylidene)ethenyl acetate
PubChem CID44520663
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(4-tert-butylcyclohexylidene)ethenyl acetate
SMILESCC(=O)OC=C=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H22O2/c1-11(15)16-10-9-12-5-7-13(8-6-12)14(2,3)4/h10,13H,5-8H2,1-4H3
InChIKeyYSYBEFPNSKJARH-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(4-tert-butylcyclohexylidene)ethenyl acetate?
The IUPAC name of 2-(4-tert-butylcyclohexylidene)ethenyl acetate (CID 44520663) is 2-(4-tert-butylcyclohexylidene)ethenyl acetate.
What is the SMILES notation for 2-(4-tert-butylcyclohexylidene)ethenyl acetate?
The canonical SMILES for 2-(4-tert-butylcyclohexylidene)ethenyl acetate is CC(=O)OC=C=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexylidene)ethenyl acetate?
The InChIKey is YSYBEFPNSKJARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(15)16-10-9-12-5-7-13(8-6-12)14(2,3)4/h10,13H,5-8H2,1-4H3.
What are the key properties of 2-(4-tert-butylcyclohexylidene)ethenyl acetate?
2-(4-tert-butylcyclohexylidene)ethenyl acetate has a molecular weight of 222.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexylidene)ethenyl acetate is sourced from PubChem (CID 44520663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).