[(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate

C14H22O3 — CID 11075499

IUPAC[(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@H](OC2CCCCC2)CC1
InChIInChI=1S/C14H22O3/c1-11(15)16-13-7-9-14(10-8-13)17-12-5-3-2-4-6-12/h7,9,12-14H,2-6,8,10H2,1H3/t13-,14-/m0/s1
InChIKeyVIMLYIQYTBRXRV-KBPBESRZSA-N
MW238.33 g/mol
LogP2.99
Rot. Bonds3

About [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate

[(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate (PubChem CID 11075499) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate
PubChem CID11075499
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name[(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@H](OC2CCCCC2)CC1
InChIInChI=1S/C14H22O3/c1-11(15)16-13-7-9-14(10-8-13)17-12-5-3-2-4-6-12/h7,9,12-14H,2-6,8,10H2,1H3/t13-,14-/m0/s1
InChIKeyVIMLYIQYTBRXRV-KBPBESRZSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate (CID 11075499) is [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@H](OC2CCCCC2)CC1.
What is the InChIKey of [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate?
The InChIKey is VIMLYIQYTBRXRV-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22O3/c1-11(15)16-13-7-9-14(10-8-13)17-12-5-3-2-4-6-12/h7,9,12-14H,2-6,8,10H2,1H3/t13-,14-/m0/s1.
What are the key properties of [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate?
[(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate has a molecular weight of 238.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-4-cyclohexyloxycyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 11075499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).