(2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one

C18H30O5Si — CID 11314225

IUPAC(2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
SMILESC#CC[C@H](C[C@@H]1CC(OCOC)=CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O5Si/c1-8-9-14(23-24(6,7)18(2,3)4)10-16-11-15(21-13-20-5)12-17(19)22-16/h1,12,14,16H,9-11,13H2,2-7H3/t14-,16-/m1/s1
InChIKeyZRRBPNZTTYLFRJ-GDBMZVCRSA-N
MW354.52 g/mol
LogP3.61
Rot. Bonds8

About (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one

(2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one (PubChem CID 11314225) has the molecular formula C18H30O5Si and a molecular weight of 354.52 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
PubChem CID11314225
Molecular FormulaC18H30O5Si
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Name(2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
SMILESC#CC[C@H](C[C@@H]1CC(OCOC)=CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O5Si/c1-8-9-14(23-24(6,7)18(2,3)4)10-16-11-15(21-13-20-5)12-17(19)22-16/h1,12,14,16H,9-11,13H2,2-7H3/t14-,16-/m1/s1
InChIKeyZRRBPNZTTYLFRJ-GDBMZVCRSA-N
XLogP3.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11199485
6-[(E,2R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11250485
6-[(2R,4R)-7-bromo-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11410415
(2R)-2-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
CID 11488533
ethyl (Z)-4-[(4R,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]but-2-enoate
CID 42600165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one (CID 11314225) is (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one is C#CC[C@H](C[C@@H]1CC(OCOC)=CC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one?
The InChIKey is ZRRBPNZTTYLFRJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H30O5Si/c1-8-9-14(23-24(6,7)18(2,3)4)10-16-11-15(21-13-20-5)12-17(19)22-16/h1,12,14,16H,9-11,13H2,2-7H3/t14-,16-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one?
(2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one has a molecular weight of 354.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one is sourced from PubChem (CID 11314225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).