(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal

C17H37O5PSi — CID 23658822

IUPAC(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal
SMILESCC(C)OP(=O)(OC(C)C)[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37O5PSi/c1-14(2)21-23(19,22-15(3)4)16(10-12-18)11-13-20-24(8,9)17(5,6)7/h12,14-16H,10-11,13H2,1-9H3/t16-/m0/s1
InChIKeyNRYDZFKSHONVBX-INIZCTEOSA-N
MW380.54 g/mol
LogP5.40
Rot. Bonds11

About (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal

(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal (PubChem CID 23658822) has the molecular formula C17H37O5PSi and a molecular weight of 380.54 g/mol. Its IUPAC name is (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal.

Molecular Properties

Compound Name(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal
PubChem CID23658822
Molecular FormulaC17H37O5PSi
Molecular Weight380.54 g/mol
Exact Mass380.21
IUPAC Name(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal
SMILESCC(C)OP(=O)(OC(C)C)[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37O5PSi/c1-14(2)21-23(19,22-15(3)4)16(10-12-18)11-13-20-24(8,9)17(5,6)7/h12,14-16H,10-11,13H2,1-9H3/t16-/m0/s1
InChIKeyNRYDZFKSHONVBX-INIZCTEOSA-N
XLogP5.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.40
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-di(propan-2-yloxy)phosphorylhexanal
CID 23659686
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
CID 66552565
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
CID 101239528
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal
CID 102015279
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal?
The IUPAC name of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal (CID 23658822) is (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal.
What is the SMILES notation for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal?
The canonical SMILES for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal is CC(C)OP(=O)(OC(C)C)[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal?
The InChIKey is NRYDZFKSHONVBX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H37O5PSi/c1-14(2)21-23(19,22-15(3)4)16(10-12-18)11-13-20-24(8,9)17(5,6)7/h12,14-16H,10-11,13H2,1-9H3/t16-/m0/s1.
What are the key properties of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal?
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal has a molecular weight of 380.54 g/mol, XLogP of 5.40, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-di(propan-2-yloxy)phosphorylpentanal is sourced from PubChem (CID 23658822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).