(2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol

C20H38O4Si — CID 10959629

IUPAC(2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
SMILESC=C[C@@H](O)[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C/C=C\C[C@@H]1O
InChIInChI=1S/C20H38O4Si/c1-8-18(21)20-19(22)12-10-9-11-17(24-20)13-23-25(14(2)3,15(4)5)16(6)7/h8-10,14-22H,1,11-13H2,2-7H3/b10-9-/t17-,18+,19-,20+/m0/s1
InChIKeyHEHCXGWAPZQJCK-DQRPSIRGSA-N
MW370.61 g/mol
LogP4.19
Rot. Bonds8

About (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol

(2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol (PubChem CID 10959629) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol.

Molecular Properties

Compound Name(2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
PubChem CID10959629
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
SMILESC=C[C@@H](O)[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C/C=C\C[C@@H]1O
InChIInChI=1S/C20H38O4Si/c1-8-18(21)20-19(22)12-10-9-11-17(24-20)13-23-25(14(2)3,15(4)5)16(6)7/h8-10,14-22H,1,11-13H2,2-7H3/b10-9-/t17-,18+,19-,20+/m0/s1
InChIKeyHEHCXGWAPZQJCK-DQRPSIRGSA-N
XLogP4.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol with MolForge

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Related Compounds

(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(Z,1R)-1-[(2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-trimethylsilylhex-3-en-5-yn-1-ol
CID 54608568
(E)-3-[(2R,3R,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]prop-2-en-1-ol
CID 11034764
[(2R,3R,6Z,9R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol
CID 49844816
(1S,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 91998628
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxyhex-1-en-3-ol
CID 101564704
(2S,3R,6S,7R)-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepine-3,6-diol
CID 11015279
(4aS,6S,7S,8Z,10aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,4a,6,7,10,10a-octahydropyrano[3,2-b]oxocin-7-ol
CID 12186177
(2S,3R,6S,7R)-2,7-bis[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepine-3,6-diol
CID 100966710
(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol
CID 12019916
5,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-6-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]nona-2,8-dien-1-ol
CID 140089891
(2S,3S,6S)-6-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 175882093

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The IUPAC name of (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol (CID 10959629) is (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol.
What is the SMILES notation for (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The canonical SMILES for (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol is C=C[C@@H](O)[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C/C=C\C[C@@H]1O.
What is the InChIKey of (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The InChIKey is HEHCXGWAPZQJCK-DQRPSIRGSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-8-18(21)20-19(22)12-10-9-11-17(24-20)13-23-25(14(2)3,15(4)5)16(6)7/h8-10,14-22H,1,11-13H2,2-7H3/b10-9-/t17-,18+,19-,20+/m0/s1.
What are the key properties of (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
(2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol has a molecular weight of 370.61 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5Z,8S)-2-[(1R)-1-hydroxyprop-2-enyl]-8-[tri(propan-2-yl)silyloxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol is sourced from PubChem (CID 10959629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).