[(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate

C21H32O2Si — CID 102124168

IUPAC[(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C\[C@H](C1CCCCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H32O2Si/c1-17(23-18(2)22)15-16-21(19-11-7-5-8-12-19)24(3,4)20-13-9-6-10-14-20/h6,9-10,13-17,19,21H,5,7-8,11-12H2,1-4H3/b16-15-/t17-,21-/m1/s1
InChIKeyVRRXPNAXADNARR-ARXXYZNRSA-N
MW344.57 g/mol
LogP5.06
Rot. Bonds6

About [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate

[(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate (PubChem CID 102124168) has the molecular formula C21H32O2Si and a molecular weight of 344.57 g/mol. Its IUPAC name is [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate
PubChem CID102124168
Molecular FormulaC21H32O2Si
Molecular Weight344.57 g/mol
Exact Mass344.22
IUPAC Name[(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C\[C@H](C1CCCCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H32O2Si/c1-17(23-18(2)22)15-16-21(19-11-7-5-8-12-19)24(3,4)20-13-9-6-10-14-20/h6,9-10,13-17,19,21H,5,7-8,11-12H2,1-4H3/b16-15-/t17-,21-/m1/s1
InChIKeyVRRXPNAXADNARR-ARXXYZNRSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate
CID 10779298
[(E)-1-cyclohexyl-4-[dimethyl(phenyl)silyl]pent-2-enyl] acetate
CID 10688850
[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate
CID 14715781
(3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one
CID 102591975
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
[(1R,3S)-1-cyclohexyl-3-hydroxy-3-phenylpropyl] acetate
CID 10802419
[(1S,4R)-4-cyclohexyl-4-hydroxy-1-phenylbut-2-ynyl] acetate
CID 101414867
1-cyclopentylethyl acetate
CID 12705472
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
[(3R,4S)-4-[benzyl(trimethylsilyloxy)amino]-5-cyclohexylpent-1-en-3-yl] acetate
CID 102466426
(4-cyclohexyl-3-methyl-2-oxobutyl) benzenesulfonate
CID 13192838
2-acetyloxy-2-cyclohexylacetic acid
CID 14528553

Frequently Asked Questions

What is the IUPAC name of [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate?
The IUPAC name of [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate (CID 102124168) is [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate.
What is the SMILES notation for [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate?
The canonical SMILES for [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate is CC(=O)O[C@H](C)/C=C\[C@H](C1CCCCC1)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate?
The InChIKey is VRRXPNAXADNARR-ARXXYZNRSA-N. The full InChI is InChI=1S/C21H32O2Si/c1-17(23-18(2)22)15-16-21(19-11-7-5-8-12-19)24(3,4)20-13-9-6-10-14-20/h6,9-10,13-17,19,21H,5,7-8,11-12H2,1-4H3/b16-15-/t17-,21-/m1/s1.
What are the key properties of [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate?
[(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate has a molecular weight of 344.57 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate is sourced from PubChem (CID 102124168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).