(3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C12H24O4Si — CID 67567253

IUPAC(3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC(C)(C[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[Si](C)(C)O
InChIInChI=1S/C12H24O4Si/c1-12(2,17(3,4)14)5-8-6-15-11-9(13)7-16-10(8)11/h8-11,13-14H,5-7H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyMCXGTQPSPMMELH-LNFKQOIKSA-N
MW260.41 g/mol
LogP1.13
Rot. Bonds3

About (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

(3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 67567253) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID67567253
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC(C)(C[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[Si](C)(C)O
InChIInChI=1S/C12H24O4Si/c1-12(2,17(3,4)14)5-8-6-15-11-9(13)7-16-10(8)11/h8-11,13-14H,5-7H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyMCXGTQPSPMMELH-LNFKQOIKSA-N
XLogP1.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.13
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,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 67567253) is (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is CC(C)(C[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[Si](C)(C)O.
What is the InChIKey of (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is MCXGTQPSPMMELH-LNFKQOIKSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,17(3,4)14)5-8-6-15-11-9(13)7-16-10(8)11/h8-11,13-14H,5-7H2,1-4H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 260.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 67567253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).