(1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol

C24H48O2Si — CID 10982178

IUPAC(1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol
SMILESCCCCCCCCCCCCCCCC[C@]1(O[Si](C)(C)C)C=C[C@@H](O)C1
InChIInChI=1S/C24H48O2Si/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/h19,21,23,25H,5-18,20,22H2,1-4H3/t23-,24+/m1/s1
InChIKeyJAVNCHBJYZYYFH-RPWUZVMVSA-N
MW396.73 g/mol
LogP7.77
Rot. Bonds17

About (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol

(1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol (PubChem CID 10982178) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol
PubChem CID10982178
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Name(1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol
SMILESCCCCCCCCCCCCCCCC[C@]1(O[Si](C)(C)C)C=C[C@@H](O)C1
InChIInChI=1S/C24H48O2Si/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/h19,21,23,25H,5-18,20,22H2,1-4H3/t23-,24+/m1/s1
InChIKeyJAVNCHBJYZYYFH-RPWUZVMVSA-N
XLogP7.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 57.77
H-Bond Donors ≤ 51
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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Related Compounds

(4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-one
CID 11090536
trimethyl-(1-nonylcyclopropyl)oxysilane
CID 10923164
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
5-hexyl-5-methyloxolan-2-ol
CID 134558115
2-octyladamantan-2-ol
CID 22603447
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
[5-(hydroxymethyl)-2,2-di(undecyl)-1,3-dioxan-5-yl]methanol
CID 10961485
1-heptyl-2-methylcyclopropane-1-carboxylic acid
CID 70266688
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 141330594
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-heptyl-2-octyl-1,3-dioxole
CID 141318565

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol (CID 10982178) is (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol is CCCCCCCCCCCCCCCC[C@]1(O[Si](C)(C)C)C=C[C@@H](O)C1.
What is the InChIKey of (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol?
The InChIKey is JAVNCHBJYZYYFH-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H48O2Si/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/h19,21,23,25H,5-18,20,22H2,1-4H3/t23-,24+/m1/s1.
What are the key properties of (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol?
(1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol has a molecular weight of 396.73 g/mol, XLogP of 7.77, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-hexadecyl-4-trimethylsilyloxycyclopent-2-en-1-ol is sourced from PubChem (CID 10982178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).