[(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate

C19H35IO4Si — CID 66552944

IUPAC[(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate
SMILESCC(C)[Si](O[C@H](/C=C/I)CC(=O)O[C@H](C)CCC=O)(C(C)C)C(C)C
InChIInChI=1S/C19H35IO4Si/c1-14(2)25(15(3)4,16(5)6)24-18(10-11-20)13-19(22)23-17(7)9-8-12-21/h10-12,14-18H,8-9,13H2,1-7H3/b11-10+/t17-,18-/m1/s1
InChIKeyIYPAXLGEDPTDBY-NDZBKKTDSA-N
MW482.48 g/mol
LogP5.80
Rot. Bonds12

About [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate

[(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate (PubChem CID 66552944) has the molecular formula C19H35IO4Si and a molecular weight of 482.48 g/mol. Its IUPAC name is [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate.

Molecular Properties

Compound Name[(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate
PubChem CID66552944
Molecular FormulaC19H35IO4Si
Molecular Weight482.48 g/mol
Exact Mass482.13
IUPAC Name[(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate
SMILESCC(C)[Si](O[C@H](/C=C/I)CC(=O)O[C@H](C)CCC=O)(C(C)C)C(C)C
InChIInChI=1S/C19H35IO4Si/c1-14(2)25(15(3)4,16(5)6)24-18(10-11-20)13-19(22)23-17(7)9-8-12-21/h10-12,14-18H,8-9,13H2,1-7H3/b11-10+/t17-,18-/m1/s1
InChIKeyIYPAXLGEDPTDBY-NDZBKKTDSA-N
XLogP5.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-4-oxobutan-2-yl] (E,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohex-5-enoate
CID 11124647
[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] (E,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohex-5-enoate
CID 11966878
ethyl (E,3S)-3-[diethyl(propan-2-yl)silyl]oxy-6-iodohex-5-enoate
CID 11315885
[(2R)-4-oxobutan-2-yl] (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoate
CID 24766120
[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] (E,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohex-5-enoate
CID 101166345
3-[tert-butyl(dimethyl)silyl]oxypropyl (E,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohex-5-enoate
CID 101166346
ethyl (Z,3S)-3-[diethyl(propan-2-yl)silyl]oxy-6-iodohex-5-enoate
CID 177565077

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate?
The IUPAC name of [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate (CID 66552944) is [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate.
What is the SMILES notation for [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate?
The canonical SMILES for [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate is CC(C)[Si](O[C@H](/C=C/I)CC(=O)O[C@H](C)CCC=O)(C(C)C)C(C)C.
What is the InChIKey of [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate?
The InChIKey is IYPAXLGEDPTDBY-NDZBKKTDSA-N. The full InChI is InChI=1S/C19H35IO4Si/c1-14(2)25(15(3)4,16(5)6)24-18(10-11-20)13-19(22)23-17(7)9-8-12-21/h10-12,14-18H,8-9,13H2,1-7H3/b11-10+/t17-,18-/m1/s1.
What are the key properties of [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate?
[(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate has a molecular weight of 482.48 g/mol, XLogP of 5.80, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-oxopentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate is sourced from PubChem (CID 66552944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).