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

C19H37IO4Si — CID 66552943

IUPAC[(2R)-5-hydroxypentan-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)CCCO)(C(C)C)C(C)C
InChIInChI=1S/C19H37IO4Si/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/h10-11,14-18,21H,8-9,12-13H2,1-7H3/b11-10+/t17-,18-/m1/s1
InChIKeyBGVMZWJNJVPNBB-NDZBKKTDSA-N
MW484.49 g/mol
LogP5.59
Rot. Bonds12

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

[(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate (PubChem CID 66552943) has the molecular formula C19H37IO4Si and a molecular weight of 484.49 g/mol. Its IUPAC name is [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate.

Molecular Properties

Compound Name[(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate
PubChem CID66552943
Molecular FormulaC19H37IO4Si
Molecular Weight484.49 g/mol
Exact Mass484.15
IUPAC Name[(2R)-5-hydroxypentan-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)CCCO)(C(C)C)C(C)C
InChIInChI=1S/C19H37IO4Si/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/h10-11,14-18,21H,8-9,12-13H2,1-7H3/b11-10+/t17-,18-/m1/s1
InChIKeyBGVMZWJNJVPNBB-NDZBKKTDSA-N
XLogP5.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate with MolForge

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Related Compounds

(E)-7-iodo-5-tri(propan-2-yl)silyloxyhept-6-enoic acid
CID 174144541
bis(6-hydroxyhexan-2-yl) hexanedioate
CID 57127239
10-hydroxydecan-2-yl propanoate
CID 123501061
[(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate
CID 155647482
6-hydroxyhexan-2-yl acetate
CID 15812148
octan-2-yl 3-aminobutanoate
CID 61302109
oct-7-en-2-yl 2-hydroxyacetate
CID 87314552
(3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride
CID 14084666
hexan-2-yl propanoate
CID 54289868
sodium;1,4-di(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid;hydride
CID 173069796
(E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide
CID 11824649
[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane
CID 90772091

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate?
The IUPAC name of [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate (CID 66552943) is [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate.
What is the SMILES notation for [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate?
The canonical SMILES for [(2R)-5-hydroxypentan-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)CCCO)(C(C)C)C(C)C.
What is the InChIKey of [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate?
The InChIKey is BGVMZWJNJVPNBB-NDZBKKTDSA-N. The full InChI is InChI=1S/C19H37IO4Si/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/h10-11,14-18,21H,8-9,12-13H2,1-7H3/b11-10+/t17-,18-/m1/s1.
What are the key properties of [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate?
[(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate has a molecular weight of 484.49 g/mol, XLogP of 5.59, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate is sourced from PubChem (CID 66552943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).