1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol

C28H56O4Si2 — CID 99772342

IUPAC1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol
SMILESCC(C)[Si](O[C@@H]1C=C(C2(O)CCCC2)OC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H56O4Si2/c1-19(2)33(20(3)4,21(5)6)31-25-17-27(28(29)15-13-14-16-28)30-18-26(25)32-34(22(7)8,23(9)10)24(11)12/h17,19-26,29H,13-16,18H2,1-12H3/t25-,26-/m1/s1
InChIKeyQVPHCTZOKXAQFI-CLJLJLNGSA-N
MW512.92 g/mol
LogP8.33
Rot. Bonds11

About 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol

1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol (PubChem CID 99772342) has the molecular formula C28H56O4Si2 and a molecular weight of 512.92 g/mol. Its IUPAC name is 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol
PubChem CID99772342
Molecular FormulaC28H56O4Si2
Molecular Weight512.92 g/mol
Exact Mass512.37
IUPAC Name1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol
SMILESCC(C)[Si](O[C@@H]1C=C(C2(O)CCCC2)OC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H56O4Si2/c1-19(2)33(20(3)4,21(5)6)31-25-17-27(28(29)15-13-14-16-28)30-18-26(25)32-34(22(7)8,23(9)10)24(11)12/h17,19-26,29H,13-16,18H2,1-12H3/t25-,26-/m1/s1
InChIKeyQVPHCTZOKXAQFI-CLJLJLNGSA-N
XLogP8.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 58.33
H-Bond Donors ≤ 51
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 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol?
The IUPAC name of 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol (CID 99772342) is 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol is CC(C)[Si](O[C@@H]1C=C(C2(O)CCCC2)OC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol?
The InChIKey is QVPHCTZOKXAQFI-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H56O4Si2/c1-19(2)33(20(3)4,21(5)6)31-25-17-27(28(29)15-13-14-16-28)30-18-26(25)32-34(22(7)8,23(9)10)24(11)12/h17,19-26,29H,13-16,18H2,1-12H3/t25-,26-/m1/s1.
What are the key properties of 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol?
1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol has a molecular weight of 512.92 g/mol, XLogP of 8.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-6-yl]cyclopentan-1-ol is sourced from PubChem (CID 99772342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).