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

C16H34O2Si — CID 11680810

IUPAC(2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol
SMILESC[C@H](CO)[C@H]1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-12-8-9-14(13(2)10-17)15(12)11-18-19(6,7)16(3,4)5/h12-15,17H,8-11H2,1-7H3/t12-,13+,14+,15+/m0/s1
InChIKeyDULQDKWAMIKPBA-GBJTYRQASA-N
MW286.53 g/mol
LogP4.30
Rot. Bonds5

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

(2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol (PubChem CID 11680810) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol
PubChem CID11680810
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol
SMILESC[C@H](CO)[C@H]1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-12-8-9-14(13(2)10-17)15(12)11-18-19(6,7)16(3,4)5/h12-15,17H,8-11H2,1-7H3/t12-,13+,14+,15+/m0/s1
InChIKeyDULQDKWAMIKPBA-GBJTYRQASA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol?
The IUPAC name of (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol (CID 11680810) is (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol?
The canonical SMILES for (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol is C[C@H](CO)[C@H]1CC[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol?
The InChIKey is DULQDKWAMIKPBA-GBJTYRQASA-N. The full InChI is InChI=1S/C16H34O2Si/c1-12-8-9-14(13(2)10-17)15(12)11-18-19(6,7)16(3,4)5/h12-15,17H,8-11H2,1-7H3/t12-,13+,14+,15+/m0/s1.
What are the key properties of (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol?
(2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-1-ol is sourced from PubChem (CID 11680810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).