(3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol

C15H30O4Si — CID 54418268

IUPAC(3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC(C)[Si](OCC1OC=CC(O)[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-10(2)20(11(3)4,12(5)6)19-9-14-15(17)13(16)7-8-18-14/h7-8,10-17H,9H2,1-6H3/t13?,14?,15-/m0/s1
InChIKeyVYZHAYQIZWKLNP-NRXISQOPSA-N
MW302.49 g/mol
LogP2.81
Rot. Bonds6

About (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol

(3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 54418268) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID54418268
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC(C)[Si](OCC1OC=CC(O)[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-10(2)20(11(3)4,12(5)6)19-9-14-15(17)13(16)7-8-18-14/h7-8,10-17H,9H2,1-6H3/t13?,14?,15-/m0/s1
InChIKeyVYZHAYQIZWKLNP-NRXISQOPSA-N
XLogP2.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol (CID 54418268) is (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol is CC(C)[Si](OCC1OC=CC(O)[C@@H]1O)(C(C)C)C(C)C.
What is the InChIKey of (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is VYZHAYQIZWKLNP-NRXISQOPSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10(2)20(11(3)4,12(5)6)19-9-14-15(17)13(16)7-8-18-14/h7-8,10-17H,9H2,1-6H3/t13?,14?,15-/m0/s1.
What are the key properties of (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol?
(3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 302.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 54418268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).