(2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol

C18H28O2Si — CID 11266708

IUPAC(2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
SMILESC/C=C/[C@H]1C/C=C\C[C@H](O)[C@@H](C/C=C/C#C[Si](C)(C)C)O1
InChIInChI=1S/C18H28O2Si/c1-5-11-16-12-8-9-13-17(19)18(20-16)14-7-6-10-15-21(2,3)4/h5-9,11,16-19H,12-14H2,1-4H3/b7-6+,9-8-,11-5+/t16-,17-,18+/m0/s1
InChIKeyFCVGHOOAYJQUAZ-QYHNMRLVSA-N
MW304.51 g/mol
LogP3.85
Rot. Bonds3

About (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol

(2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol (PubChem CID 11266708) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol.

Molecular Properties

Compound Name(2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
PubChem CID11266708
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
SMILESC/C=C/[C@H]1C/C=C\C[C@H](O)[C@@H](C/C=C/C#C[Si](C)(C)C)O1
InChIInChI=1S/C18H28O2Si/c1-5-11-16-12-8-9-13-17(19)18(20-16)14-7-6-10-15-21(2,3)4/h5-9,11,16-19H,12-14H2,1-4H3/b7-6+,9-8-,11-5+/t16-,17-,18+/m0/s1
InChIKeyFCVGHOOAYJQUAZ-QYHNMRLVSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The IUPAC name of (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol (CID 11266708) is (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol.
What is the SMILES notation for (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The canonical SMILES for (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol is C/C=C/[C@H]1C/C=C\C[C@H](O)[C@@H](C/C=C/C#C[Si](C)(C)C)O1.
What is the InChIKey of (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
The InChIKey is FCVGHOOAYJQUAZ-QYHNMRLVSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-5-11-16-12-8-9-13-17(19)18(20-16)14-7-6-10-15-21(2,3)4/h5-9,11,16-19H,12-14H2,1-4H3/b7-6+,9-8-,11-5+/t16-,17-,18+/m0/s1.
What are the key properties of (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol?
(2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol has a molecular weight of 304.51 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol is sourced from PubChem (CID 11266708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).