(4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one

C24H46O2Si — CID 11090536

IUPAC(4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one
SMILESCCCCCCCCCCCCCCCC[C@]1(O[Si](C)(C)C)C=CC(=O)C1
InChIInChI=1S/C24H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(26-27(2,3)4)21-19-23(25)22-24/h19,21H,5-18,20,22H2,1-4H3/t24-/m0/s1
InChIKeyRETCDRCEZSJJGT-DEOSSOPVSA-N
MW394.72 g/mol
LogP7.98
Rot. Bonds17

About (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one

(4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one (PubChem CID 11090536) has the molecular formula C24H46O2Si and a molecular weight of 394.72 g/mol. Its IUPAC name is (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one
PubChem CID11090536
Molecular FormulaC24H46O2Si
Molecular Weight394.72 g/mol
Exact Mass394.33
IUPAC Name(4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one
SMILESCCCCCCCCCCCCCCCC[C@]1(O[Si](C)(C)C)C=CC(=O)C1
InChIInChI=1S/C24H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(26-27(2,3)4)21-19-23(25)22-24/h19,21H,5-18,20,22H2,1-4H3/t24-/m0/s1
InChIKeyRETCDRCEZSJJGT-DEOSSOPVSA-N
XLogP7.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.72
LogP ≤ 57.98
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'}

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Related Compounds

(4S)-4-hexadecyl-4-hydroxycyclopent-2-en-1-one
CID 101350451
(1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol
CID 10982178
5,5-dioctylcyclohex-2-ene-1,4-dione
CID 70495824
trimethyl-(1-nonylcyclopropyl)oxysilane
CID 10923164
5,5-diheptyl-4,4-dimethyloxolan-2-one
CID 10781290
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
4,4-di(nonyl)oxolan-2-one
CID 139783002
4,4-dibutylcyclohex-2-en-1-one
CID 14836303
3-amino-3-pentyloxolan-2-one
CID 174336669
heptane;pyrrole-2,5-dione
CID 159979894
1-hexyl-4-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 150777608
1-hexadecylpyrrole-2,5-dione
CID 4526314

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one (CID 11090536) is (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one is CCCCCCCCCCCCCCCC[C@]1(O[Si](C)(C)C)C=CC(=O)C1.
What is the InChIKey of (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one?
The InChIKey is RETCDRCEZSJJGT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(26-27(2,3)4)21-19-23(25)22-24/h19,21H,5-18,20,22H2,1-4H3/t24-/m0/s1.
What are the key properties of (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one?
(4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one has a molecular weight of 394.72 g/mol, XLogP of 7.98, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 11090536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).