cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one

C19H34O2Si — CID 102523294

IUPACcis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one
SMILESC=CC[C@H](C(C)C)[C@H](O)[C@H]1C(=O)CC[C@@H]1C(=C)C[Si](C)(C)C
InChIInChI=1S/C19H34O2Si/c1-8-9-15(13(2)3)19(21)18-16(10-11-17(18)20)14(4)12-22(5,6)7/h8,13,15-16,18-19,21H,1,4,9-12H2,2-3,5-7H3/t15-,16-,18-,19+/m1/s1
InChIKeyDUIRCPTWRALEHY-RWQQGDIJSA-N
MW322.57 g/mol
LogP4.69
Rot. Bonds8

About cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one

cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one (PubChem CID 102523294) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one
PubChem CID102523294
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Namecis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one
SMILESC=CC[C@H](C(C)C)[C@H](O)[C@H]1C(=O)CC[C@@H]1C(=C)C[Si](C)(C)C
InChIInChI=1S/C19H34O2Si/c1-8-9-15(13(2)3)19(21)18-16(10-11-17(18)20)14(4)12-22(5,6)7/h8,13,15-16,18-19,21H,1,4,9-12H2,2-3,5-7H3/t15-,16-,18-,19+/m1/s1
InChIKeyDUIRCPTWRALEHY-RWQQGDIJSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
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

cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one
CID 53466025
2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone
CID 5469502
2-(1-Hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one
CID 10488674
cis-(2R,3R)-3-but-3-enyl-2-[(1R,3S)-1-hydroxy-3-methyl-5-triethylsilyloxyhept-6-enyl]-3-methylcyclopentan-1-one
CID 25112424
(3aR,4R,6S,9E,12aR)-4-hydroxy-6,12a-dimethyl-8-triethylsilyloxy-1,2,3a,4,5,6,7,8,11,12-decahydrocyclopenta[11]annulen-3-one
CID 25112425
2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 44516075
(2R,5S,6R,9R)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-2,6-dimethyltetradec-13-en-7-one
CID 134948846
2-[(E,2S,3S)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 135019354
trans-(2S,3R)-2-[cyclohexyl(hydroxy)methyl]-3-[(E)-4-tri(propan-2-yl)silyloxybut-1-enyl]cyclopentan-1-one
CID 101674803
3-Butyl-2-(1-hydroxyprop-2-enyl)cyclopentan-1-one
CID 12838002
3-(2-Propenyl)-4-t-butyldimethylsilyloxy-2-(1-hydroxybutyl)cyclopentanone
CID 21296234
trans-(2R,3S)-3-(4-ethenyloctyl)-2-[5-(hydroxymethyl)hept-6-enyl]cyclopentan-1-one
CID 54228427

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one (CID 102523294) is cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one is C=CC[C@H](C(C)C)[C@H](O)[C@H]1C(=O)CC[C@@H]1C(=C)C[Si](C)(C)C.
What is the InChIKey of cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one?
The InChIKey is DUIRCPTWRALEHY-RWQQGDIJSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-8-9-15(13(2)3)19(21)18-16(10-11-17(18)20)14(4)12-22(5,6)7/h8,13,15-16,18-19,21H,1,4,9-12H2,2-3,5-7H3/t15-,16-,18-,19+/m1/s1.
What are the key properties of cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one?
cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one has a molecular weight of 322.57 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-[(1S,2R)-1-hydroxy-2-propan-2-ylpent-4-enyl]-3-(3-trimethylsilylprop-1-en-2-yl)cyclopentan-1-one is sourced from PubChem (CID 102523294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).