(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol

C20H38O4Si — CID 18605955

IUPAC(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC2CCCCO2)C[C@H]1O
InChIInChI=1S/C20H38O4Si/c1-7-10-15-16(14-23-25(5,6)20(2,3)4)18(13-17(15)21)24-19-11-8-9-12-22-19/h7,15-19,21H,1,8-14H2,2-6H3/t15-,16-,17+,18-,19?/m0/s1
InChIKeyIOYZTSOVUOWILK-BMMZCLLGSA-N
MW370.61 g/mol
LogP4.49
Rot. Bonds7

About (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol

(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol (PubChem CID 18605955) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol
PubChem CID18605955
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC2CCCCO2)C[C@H]1O
InChIInChI=1S/C20H38O4Si/c1-7-10-15-16(14-23-25(5,6)20(2,3)4)18(13-17(15)21)24-19-11-8-9-12-22-19/h7,15-19,21H,1,8-14H2,2-6H3/t15-,16-,17+,18-,19?/m0/s1
InChIKeyIOYZTSOVUOWILK-BMMZCLLGSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol?
The IUPAC name of (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol (CID 18605955) is (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol is C=CC[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC2CCCCO2)C[C@H]1O.
What is the InChIKey of (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol?
The InChIKey is IOYZTSOVUOWILK-BMMZCLLGSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-7-10-15-16(14-23-25(5,6)20(2,3)4)18(13-17(15)21)24-19-11-8-9-12-22-19/h7,15-19,21H,1,8-14H2,2-6H3/t15-,16-,17+,18-,19?/m0/s1.
What are the key properties of (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol?
(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol has a molecular weight of 370.61 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 18605955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).