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

C10H14O4 — CID 142254218

IUPAC[(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate
SMILESCC(=O)OC1C=C[C@H](OC(C)=O)CC1
InChIInChI=1S/C10H14O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3,5,9-10H,4,6H2,1-2H3/t9-,10?/m0/s1
InChIKeyVDGAZJWPUNUMLR-RGURZIINSA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds2

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

[(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate (PubChem CID 142254218) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate
PubChem CID142254218
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate
SMILESCC(=O)OC1C=C[C@H](OC(C)=O)CC1
InChIInChI=1S/C10H14O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3,5,9-10H,4,6H2,1-2H3/t9-,10?/m0/s1
InChIKeyVDGAZJWPUNUMLR-RGURZIINSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
2-Cyclohexen-1-ol, 3-methyl-, acetate
CID 3018590
cis-3,5-Diacetoxy-1-cyclopentene
CID 10192610
(3E,6Z,8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-3,6,9-triene-2,5-dione
CID 134157703
5-Butylfuran-2(5H)-one
CID 121779
1,5-Undecadien-4-ol, 4-acetate
CID 115849
Umuravumbolide
CID 11161084
[(E)-hex-4-en-3-yl] acetate
CID 12015313
2H-Pyran-2-one, 6-butyl-5,6-dihydro-
CID 85996
Lasiolactone
CID 89352705
(2R)-2-[(Z)-hept-1-enyl]-2,5-dihydropyran-6-one
CID 76309897
[(1R,4R)-4-acetyloxycyclohex-2-en-1-yl] 2,2,2-trifluoroacetate
CID 13186729

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate?
The IUPAC name of [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate (CID 142254218) is [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate is CC(=O)OC1C=C[C@H](OC(C)=O)CC1.
What is the InChIKey of [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate?
The InChIKey is VDGAZJWPUNUMLR-RGURZIINSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3,5,9-10H,4,6H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate?
[(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-acetyloxycyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 142254218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).