(3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol

C25H44O7Si — CID 135073251

IUPAC(3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol
SMILESC=C[C@](C)(O)C[C@H](/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O7Si/c1-12-25(9,26)14-16(32-33(10,11)22(2,3)4)13-17-19(18-15-27-23(5,6)29-18)28-21-20(17)30-24(7,8)31-21/h12-13,16,18-21,26H,1,14-15H2,2-11H3/b17-13-/t16-,18-,19-,20+,21+,25-/m0/s1
InChIKeyJIAUALOHZGCDCJ-MFBLHKTJSA-N
MW484.71 g/mol
LogP4.66
Rot. Bonds7

About (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol

(3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol (PubChem CID 135073251) has the molecular formula C25H44O7Si and a molecular weight of 484.71 g/mol. Its IUPAC name is (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol.

Molecular Properties

Compound Name(3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol
PubChem CID135073251
Molecular FormulaC25H44O7Si
Molecular Weight484.71 g/mol
Exact Mass484.29
IUPAC Name(3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol
SMILESC=C[C@](C)(O)C[C@H](/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O7Si/c1-12-25(9,26)14-16(32-33(10,11)22(2,3)4)13-17-19(18-15-27-23(5,6)29-18)28-21-20(17)30-24(7,8)31-21/h12-13,16,18-21,26H,1,14-15H2,2-11H3/b17-13-/t16-,18-,19-,20+,21+,25-/m0/s1
InChIKeyJIAUALOHZGCDCJ-MFBLHKTJSA-N
XLogP4.66
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.71
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2R,6R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-fluoro-4,4-dimethyl-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-en-1-ol
CID 71114631
(E,4R,6R,7Z)-7-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methylhept-2-enal
CID 135061514
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,1R,4R)-5-(1,3-dioxolan-2-yl)-1-(methoxymethoxy)-4-methylpent-2-enyl]oxolan-2-yl]methanol
CID 138985050
(Z,1S)-3-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11671877
(2R)-2-[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
CID 22979813
2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
CID 59269880
2-[(3aR,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
CID 89076387
(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 159062981
(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 10710402
(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 10970003
(2S,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol
CID 11068300
(2R,3'aR,5R,5'R,6R,6'aR)-5'-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2,5-dihydropyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-ol
CID 11810465

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol?
The IUPAC name of (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol (CID 135073251) is (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol.
What is the SMILES notation for (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol?
The canonical SMILES for (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol is C=C[C@](C)(O)C[C@H](/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol?
The InChIKey is JIAUALOHZGCDCJ-MFBLHKTJSA-N. The full InChI is InChI=1S/C25H44O7Si/c1-12-25(9,26)14-16(32-33(10,11)22(2,3)4)13-17-19(18-15-27-23(5,6)29-18)28-21-20(17)30-24(7,8)31-21/h12-13,16,18-21,26H,1,14-15H2,2-11H3/b17-13-/t16-,18-,19-,20+,21+,25-/m0/s1.
What are the key properties of (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol?
(3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol has a molecular weight of 484.71 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6Z)-6-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-1-en-3-ol is sourced from PubChem (CID 135073251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).