(2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol

C18H34O3Si — CID 175882093

IUPAC(2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
SMILESC=CC[C@H]1C=C[C@H](O)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C18H34O3Si/c1-8-9-16-10-11-17(19)18(21-16)12-20-22(13(2)3,14(4)5)15(6)7/h8,10-11,13-19H,1,9,12H2,2-7H3/t16-,17-,18-/m0/s1
InChIKeySJWHZHUBALJBMX-BZSNNMDCSA-N
MW326.55 g/mol
LogP4.44
Rot. Bonds8

About (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol

(2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 175882093) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
PubChem CID175882093
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
SMILESC=CC[C@H]1C=C[C@H](O)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C18H34O3Si/c1-8-9-16-10-11-17(19)18(21-16)12-20-22(13(2)3,14(4)5)15(6)7/h8,10-11,13-19H,1,9,12H2,2-7H3/t16-,17-,18-/m0/s1
InChIKeySJWHZHUBALJBMX-BZSNNMDCSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol (CID 175882093) is (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol is C=CC[C@H]1C=C[C@H](O)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is SJWHZHUBALJBMX-BZSNNMDCSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-9-16-10-11-17(19)18(21-16)12-20-22(13(2)3,14(4)5)15(6)7/h8,10-11,13-19H,1,9,12H2,2-7H3/t16-,17-,18-/m0/s1.
What are the key properties of (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol?
(2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 326.55 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 175882093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).