cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one

C18H34O2Si — CID 174136939

IUPACcis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@]1(CCCO[Si](C)(C)C(C)(C)C)C(=O)CC[C@@H]1C
InChIInChI=1S/C18H34O2Si/c1-8-12-18(15(2)10-11-16(18)19)13-9-14-20-21(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3/t15-,18+/m0/s1
InChIKeyMCWNYWTUMLIHHZ-MAUKXSAKSA-N
MW310.55 g/mol
LogP5.35
Rot. Bonds7

About cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one

cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one (PubChem CID 174136939) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one
PubChem CID174136939
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Namecis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@]1(CCCO[Si](C)(C)C(C)(C)C)C(=O)CC[C@@H]1C
InChIInChI=1S/C18H34O2Si/c1-8-12-18(15(2)10-11-16(18)19)13-9-14-20-21(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3/t15-,18+/m0/s1
InChIKeyMCWNYWTUMLIHHZ-MAUKXSAKSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one (CID 174136939) is cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one is C=CC[C@]1(CCCO[Si](C)(C)C(C)(C)C)C(=O)CC[C@@H]1C.
What is the InChIKey of cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one?
The InChIKey is MCWNYWTUMLIHHZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-8-12-18(15(2)10-11-16(18)19)13-9-14-20-21(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3/t15-,18+/m0/s1.
What are the key properties of cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one?
cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 174136939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).