(4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde

C17H32O5Si — CID 101016777

IUPAC(4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde
SMILESCC(C)[Si](O[C@@H](C=O)C[C@@H]1OCO[C@]1(C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C17H32O5Si/c1-12(2)23(13(3)4,14(5)6)22-15(9-18)8-16-17(7,10-19)21-11-20-16/h9-10,12-16H,8,11H2,1-7H3/t15-,16+,17-/m1/s1
InChIKeyFZXXUONSDTWHDN-IXDOHACOSA-N
MW344.52 g/mol
LogP3.47
Rot. Bonds9

About (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde

(4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde (PubChem CID 101016777) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde
PubChem CID101016777
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name(4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde
SMILESCC(C)[Si](O[C@@H](C=O)C[C@@H]1OCO[C@]1(C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C17H32O5Si/c1-12(2)23(13(3)4,14(5)6)22-15(9-18)8-16-17(7,10-19)21-11-20-16/h9-10,12-16H,8,11H2,1-7H3/t15-,16+,17-/m1/s1
InChIKeyFZXXUONSDTWHDN-IXDOHACOSA-N
XLogP3.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde (CID 101016777) is (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde is CC(C)[Si](O[C@@H](C=O)C[C@@H]1OCO[C@]1(C)C=O)(C(C)C)C(C)C.
What is the InChIKey of (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde?
The InChIKey is FZXXUONSDTWHDN-IXDOHACOSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-12(2)23(13(3)4,14(5)6)22-15(9-18)8-16-17(7,10-19)21-11-20-16/h9-10,12-16H,8,11H2,1-7H3/t15-,16+,17-/m1/s1.
What are the key properties of (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde?
(4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde has a molecular weight of 344.52 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5-[(2R)-3-oxo-2-tri(propan-2-yl)silyloxypropyl]-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 101016777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).