cyclohexene;cyclohex-2-en-1-yl benzoate

C19H24O2 — CID 158500035

IUPACcyclohexene;cyclohex-2-en-1-yl benzoate
SMILESC1=CCCCC1.O=C(OC1C=CCCC1)c1ccccc1
InChIInChI=1S/C13H14O2.C6H10/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h1,3-5,7-9,12H,2,6,10H2;1-2H,3-6H2
InChIKeyHJTUXSCBEKSIHT-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.07
Rot. Bonds2

About cyclohexene;cyclohex-2-en-1-yl benzoate

cyclohexene;cyclohex-2-en-1-yl benzoate (PubChem CID 158500035) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is cyclohexene;cyclohex-2-en-1-yl benzoate.

Molecular Properties

Compound Namecyclohexene;cyclohex-2-en-1-yl benzoate
PubChem CID158500035
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Namecyclohexene;cyclohex-2-en-1-yl benzoate
SMILESC1=CCCCC1.O=C(OC1C=CCCC1)c1ccccc1
InChIInChI=1S/C13H14O2.C6H10/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h1,3-5,7-9,12H,2,6,10H2;1-2H,3-6H2
InChIKeyHJTUXSCBEKSIHT-UHFFFAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R)-4-benzoyloxycyclohex-2-en-1-yl] benzoate
CID 10990891
(4-benzoyloxycyclohex-2-en-1-yl) benzoate;methane
CID 161382520
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
2-O-[(2Z)-cyclooct-2-en-1-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 101173390
[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
CID 141355381
bis(cyclohex-2-en-1-ylbenzene);bis(cyclohex-2-en-1-yl benzoate);[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene;[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] benzoate
CID 157158807
cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate
CID 14926823
cyclohept-2-en-1-yl 3-(piperazin-1-ylmethyl)benzoate
CID 70001332
cyclohex-2-en-1-yl prop-2-ynoate
CID 14249454
3-benzoyloxy-2-cyclohex-2-en-1-yl-3-oxopropanoic acid
CID 88758449
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
cyclohex-2-en-1-yl acetate;methane
CID 159882311

Frequently Asked Questions

What is the IUPAC name of cyclohexene;cyclohex-2-en-1-yl benzoate?
The IUPAC name of cyclohexene;cyclohex-2-en-1-yl benzoate (CID 158500035) is cyclohexene;cyclohex-2-en-1-yl benzoate.
What is the SMILES notation for cyclohexene;cyclohex-2-en-1-yl benzoate?
The canonical SMILES for cyclohexene;cyclohex-2-en-1-yl benzoate is C1=CCCCC1.O=C(OC1C=CCCC1)c1ccccc1.
What is the InChIKey of cyclohexene;cyclohex-2-en-1-yl benzoate?
The InChIKey is HJTUXSCBEKSIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2.C6H10/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h1,3-5,7-9,12H,2,6,10H2;1-2H,3-6H2.
What are the key properties of cyclohexene;cyclohex-2-en-1-yl benzoate?
cyclohexene;cyclohex-2-en-1-yl benzoate has a molecular weight of 284.40 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;cyclohex-2-en-1-yl benzoate is sourced from PubChem (CID 158500035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).