(3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one

C14H24OSi — CID 15936825

IUPAC(3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one
SMILESC=C[C@H](CC(=O)[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C14H24OSi/c1-5-12(11-14(15)16(2,3)4)13-9-7-6-8-10-13/h5,9,12H,1,6-8,10-11H2,2-4H3/t12-/m1/s1
InChIKeyRIFDNYXKKZAFKK-GFCCVEGCSA-N
MW236.43 g/mol
LogP4.13
Rot. Bonds5

About (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one

(3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one (PubChem CID 15936825) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one.

Molecular Properties

Compound Name(3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one
PubChem CID15936825
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name(3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one
SMILESC=C[C@H](CC(=O)[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C14H24OSi/c1-5-12(11-14(15)16(2,3)4)13-9-7-6-8-10-13/h5,9,12H,1,6-8,10-11H2,2-4H3/t12-/m1/s1
InChIKeyRIFDNYXKKZAFKK-GFCCVEGCSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
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3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide
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ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
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1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one
CID 69048522
(4R,5R)-5-(cyclohexen-1-yl)-4-methyl-5-nitropentan-2-one
CID 101440483
[(R)-cyclohexen-1-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate
CID 10892321

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one?
The IUPAC name of (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one (CID 15936825) is (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one.
What is the SMILES notation for (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one?
The canonical SMILES for (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one is C=C[C@H](CC(=O)[Si](C)(C)C)C1=CCCCC1.
What is the InChIKey of (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one?
The InChIKey is RIFDNYXKKZAFKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24OSi/c1-5-12(11-14(15)16(2,3)4)13-9-7-6-8-10-13/h5,9,12H,1,6-8,10-11H2,2-4H3/t12-/m1/s1.
What are the key properties of (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one?
(3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one has a molecular weight of 236.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one is sourced from PubChem (CID 15936825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).