(4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one

C15H28O4Si — CID 11308181

IUPAC(4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
SMILESCC(C)[Si](OC[C@@]1(O)C(=O)C=C[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C15H28O4Si/c1-10(2)20(11(3)4,12(5)6)19-9-15(18)13(16)7-8-14(15)17/h7-8,10-13,16,18H,9H2,1-6H3/t13-,15-/m0/s1
InChIKeyDJTANHVKXGAQHU-ZFWWWQNUSA-N
MW300.47 g/mol
LogP2.41
Rot. Bonds6

About (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one

(4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one (PubChem CID 11308181) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
PubChem CID11308181
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
SMILESCC(C)[Si](OC[C@@]1(O)C(=O)C=C[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C15H28O4Si/c1-10(2)20(11(3)4,12(5)6)19-9-15(18)13(16)7-8-14(15)17/h7-8,10-13,16,18H,9H2,1-6H3/t13-,15-/m0/s1
InChIKeyDJTANHVKXGAQHU-ZFWWWQNUSA-N
XLogP2.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.41
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 (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one?
The IUPAC name of (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one (CID 11308181) is (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one?
The canonical SMILES for (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one is CC(C)[Si](OC[C@@]1(O)C(=O)C=C[C@@H]1O)(C(C)C)C(C)C.
What is the InChIKey of (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one?
The InChIKey is DJTANHVKXGAQHU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-10(2)20(11(3)4,12(5)6)19-9-15(18)13(16)7-8-14(15)17/h7-8,10-13,16,18H,9H2,1-6H3/t13-,15-/m0/s1.
What are the key properties of (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one?
(4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one has a molecular weight of 300.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11308181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).