2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol

C16H32O2Si — CID 11460311

IUPAC2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol
SMILESC=C(CO)[C@@H]1CC[C@@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-12-8-9-14(13(2)10-17)15(12)11-18-19(6,7)16(3,4)5/h12,14-15,17H,2,8-11H2,1,3-7H3/t12-,14+,15-/m1/s1
InChIKeySRSGJTWGTMZDMS-VHDGCEQUSA-N
MW284.52 g/mol
LogP4.22
Rot. Bonds5

About 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol

2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol (PubChem CID 11460311) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol
PubChem CID11460311
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol
SMILESC=C(CO)[C@@H]1CC[C@@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-12-8-9-14(13(2)10-17)15(12)11-18-19(6,7)16(3,4)5/h12,14-15,17H,2,8-11H2,1,3-7H3/t12-,14+,15-/m1/s1
InChIKeySRSGJTWGTMZDMS-VHDGCEQUSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.22
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'}

Analyze 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol with MolForge

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Related Compounds

[(1S,2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentyl]methanol
CID 134901073
2-[(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]ethanol
CID 134974093
(1S,2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol
CID 11536523
2-[2-(Hydroxymethyl)-3-methylcyclopentyl]prop-2-en-1-ol
CID 12772425
2-[(1S, 2R, 3R)-2-(hydroxymethyl)-3-methylcyclopent-1-yl]-2-propen-1-ol
CID 57111947
2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]prop-2-en-1-ol
CID 57204446
[(1S,2R,5R)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentyl]methanol
CID 10955285
8-[Tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-1-en-3-ol
CID 11426201

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol?
The IUPAC name of 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol (CID 11460311) is 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol?
The canonical SMILES for 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol is C=C(CO)[C@@H]1CC[C@@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol?
The InChIKey is SRSGJTWGTMZDMS-VHDGCEQUSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12-8-9-14(13(2)10-17)15(12)11-18-19(6,7)16(3,4)5/h12,14-15,17H,2,8-11H2,1,3-7H3/t12-,14+,15-/m1/s1.
What are the key properties of 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol?
2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]prop-2-en-1-ol is sourced from PubChem (CID 11460311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).