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

C20H38O4Si — CID 68750549

IUPAC(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol
SMILESCC=C[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/h7,10,15-19,21H,8-9,11-14H2,1-6H3/t15-,16-,17+,18-,19?/m1/s1
InChIKeyONTIDHQYNRMYTD-DQROZCCUSA-N
MW370.61 g/mol
LogP4.49
Rot. Bonds6

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

(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol (PubChem CID 68750549) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol
PubChem CID68750549
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol
SMILESCC=C[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/h7,10,15-19,21H,8-9,11-14H2,1-6H3/t15-,16-,17+,18-,19?/m1/s1
InChIKeyONTIDHQYNRMYTD-DQROZCCUSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol?
The IUPAC name of (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol (CID 68750549) is (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol is CC=C[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 (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol?
The InChIKey is ONTIDHQYNRMYTD-DQROZCCUSA-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/h7,10,15-19,21H,8-9,11-14H2,1-6H3/t15-,16-,17+,18-,19?/m1/s1.
What are the key properties of (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol?
(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol has a molecular weight of 370.61 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-1-enylcyclopentan-1-ol is sourced from PubChem (CID 68750549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).