(3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

C21H34O3Si — CID 177463388

IUPAC(3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
SMILESC=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/CO[Si](C)(C)C(C)(C)C)CC[C@@H]12
InChIInChI=1S/C21H34O3Si/c1-15-9-8-10-17(14-23-25(6,7)21(3,4)5)11-12-18-16(2)20(22)24-19(18)13-15/h10,13,18-19H,2,8-9,11-12,14H2,1,3-7H3/b15-13+,17-10+/t18-,19+/m0/s1
InChIKeyMKJAYTCCBORWJV-MYISNJMYSA-N
MW362.59 g/mol
LogP5.55
Rot. Bonds3

About (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

(3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one (PubChem CID 177463388) has the molecular formula C21H34O3Si and a molecular weight of 362.59 g/mol. Its IUPAC name is (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one.

Molecular Properties

Compound Name(3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
PubChem CID177463388
Molecular FormulaC21H34O3Si
Molecular Weight362.59 g/mol
Exact Mass362.23
IUPAC Name(3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
SMILESC=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/CO[Si](C)(C)C(C)(C)C)CC[C@@H]12
InChIInChI=1S/C21H34O3Si/c1-15-9-8-10-17(14-23-25(6,7)21(3,4)5)11-12-18-16(2)20(22)24-19(18)13-15/h10,13,18-19H,2,8-9,11-12,14H2,1,3-7H3/b15-13+,17-10+/t18-,19+/m0/s1
InChIKeyMKJAYTCCBORWJV-MYISNJMYSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.59
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one?
The IUPAC name of (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one (CID 177463388) is (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one.
What is the SMILES notation for (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one?
The canonical SMILES for (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one is C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/CO[Si](C)(C)C(C)(C)C)CC[C@@H]12.
What is the InChIKey of (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one?
The InChIKey is MKJAYTCCBORWJV-MYISNJMYSA-N. The full InChI is InChI=1S/C21H34O3Si/c1-15-9-8-10-17(14-23-25(6,7)21(3,4)5)11-12-18-16(2)20(22)24-19(18)13-15/h10,13,18-19H,2,8-9,11-12,14H2,1,3-7H3/b15-13+,17-10+/t18-,19+/m0/s1.
What are the key properties of (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one?
(3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one has a molecular weight of 362.59 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6E,10E,11aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one is sourced from PubChem (CID 177463388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).