(4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline

C20H36O4Si — CID 10959570

IUPAC(4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@H](OC3CCCCC3)C=C[C@H]2O1
InChIInChI=1S/C20H36O4Si/c1-19(2,3)25(20(4,5)6)21-14-17-16(24-25)12-13-18(23-17)22-15-10-8-7-9-11-15/h12-13,15-18H,7-11,14H2,1-6H3/t16-,17-,18+/m1/s1
InChIKeyJCRDFAQLCFRGFI-KURKYZTESA-N
MW368.59 g/mol
LogP5.07
Rot. Bonds2

About (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline

(4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline (PubChem CID 10959570) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline.

Molecular Properties

Compound Name(4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
PubChem CID10959570
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@H](OC3CCCCC3)C=C[C@H]2O1
InChIInChI=1S/C20H36O4Si/c1-19(2,3)25(20(4,5)6)21-14-17-16(24-25)12-13-18(23-17)22-15-10-8-7-9-11-15/h12-13,15-18H,7-11,14H2,1-6H3/t16-,17-,18+/m1/s1
InChIKeyJCRDFAQLCFRGFI-KURKYZTESA-N
XLogP5.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.07
H-Bond Donors ≤ 50
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 (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The IUPAC name of (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline (CID 10959570) is (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline.
What is the SMILES notation for (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The canonical SMILES for (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline is CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@H](OC3CCCCC3)C=C[C@H]2O1.
What is the InChIKey of (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The InChIKey is JCRDFAQLCFRGFI-KURKYZTESA-N. The full InChI is InChI=1S/C20H36O4Si/c1-19(2,3)25(20(4,5)6)21-14-17-16(24-25)12-13-18(23-17)22-15-10-8-7-9-11-15/h12-13,15-18H,7-11,14H2,1-6H3/t16-,17-,18+/m1/s1.
What are the key properties of (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
(4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline has a molecular weight of 368.59 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,8aR)-2,2-ditert-butyl-6-cyclohexyloxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline is sourced from PubChem (CID 10959570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).