[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate

C11H16O3 — CID 101022571

IUPAC[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
SMILESCO/C=C/C1=C[C@H](OC(C)=O)CCC1
InChIInChI=1S/C11H16O3/c1-9(12)14-11-5-3-4-10(8-11)6-7-13-2/h6-8,11H,3-5H2,1-2H3/b7-6+/t11-/m1/s1
InChIKeyDYLKZOPSWJUQEP-XUIVZRPNSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds3

About [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate

[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate (PubChem CID 101022571) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
PubChem CID101022571
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
SMILESCO/C=C/C1=C[C@H](OC(C)=O)CCC1
InChIInChI=1S/C11H16O3/c1-9(12)14-11-5-3-4-10(8-11)6-7-13-2/h6-8,11H,3-5H2,1-2H3/b7-6+/t11-/m1/s1
InChIKeyDYLKZOPSWJUQEP-XUIVZRPNSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-3-bromocyclohept-2-en-1-yl] acetate
CID 11333750
[(2E,6E,10E)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-yl] acetate
CID 134735458
[(1R)-3-prop-1-en-2-ylcyclopent-2-en-1-yl] acetate
CID 56590409
(4-chlorocyclohept-2-en-1-yl) acetate
CID 12936437
[(1R)-3-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-yl] acetate
CID 166439516
(3-methylcyclohex-2-en-1-yl) formate
CID 87738453
4-O-[(1R)-3-ethenylcyclohex-2-en-1-yl] 1-O-ethyl (Z)-but-2-enedioate
CID 101345586
[(6R,8aS)-3,4,6,7,8,8a-hexahydro-2H-chromen-6-yl] acetate
CID 11074321
(3-prop-1-ynylcyclopent-2-en-1-yl) acetate
CID 145260813
(3-acetyloxycyclopenten-1-yl) propanoate
CID 175261459
[(1S,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl] acetate
CID 10511585
(3-iodocyclohex-2-en-1-yl) 2-methylprop-2-enoate
CID 176878239

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate (CID 101022571) is [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate is CO/C=C/C1=C[C@H](OC(C)=O)CCC1.
What is the InChIKey of [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate?
The InChIKey is DYLKZOPSWJUQEP-XUIVZRPNSA-N. The full InChI is InChI=1S/C11H16O3/c1-9(12)14-11-5-3-4-10(8-11)6-7-13-2/h6-8,11H,3-5H2,1-2H3/b7-6+/t11-/m1/s1.
What are the key properties of [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate?
[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate has a molecular weight of 196.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 101022571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).