(1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol

C35H66O6Si2 — CID 91326598

IUPAC(1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol
SMILESC=C(CCC[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)CC(C=CC[C@H](O)[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H66O6Si2/c1-27(17-14-18-28-19-15-20-29(39-28)23-24-38-42(10,11)33(2,3)4)25-30(41-43(12,13)34(5,6)7)21-16-22-31(36)32-26-37-35(8,9)40-32/h15-16,20-21,28-32,36H,1,14,17-19,22-26H2,2-13H3/t28-,29+,30?,31+,32-/m1/s1
InChIKeyWHNVTVVLTXROOQ-IFFNHCCVSA-N
MW639.08 g/mol
LogP9.08
Rot. Bonds16

About (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol

(1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol (PubChem CID 91326598) has the molecular formula C35H66O6Si2 and a molecular weight of 639.08 g/mol. Its IUPAC name is (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol.

Molecular Properties

Compound Name(1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol
PubChem CID91326598
Molecular FormulaC35H66O6Si2
Molecular Weight639.08 g/mol
Exact Mass638.44
IUPAC Name(1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol
SMILESC=C(CCC[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)CC(C=CC[C@H](O)[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H66O6Si2/c1-27(17-14-18-28-19-15-20-29(39-28)23-24-38-42(10,11)33(2,3)4)25-30(41-43(12,13)34(5,6)7)21-16-22-31(36)32-26-37-35(8,9)40-32/h15-16,20-21,28-32,36H,1,14,17-19,22-26H2,2-13H3/t28-,29+,30?,31+,32-/m1/s1
InChIKeyWHNVTVVLTXROOQ-IFFNHCCVSA-N
XLogP9.08
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.08
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol with MolForge

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Related Compounds

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
CID 5471932
(2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol
CID 25105534
[(3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methanol
CID 135026574
2-[6-[6-(tert-Butyldimethylsilanyloxy)hept-1-enyl]-3-(2-methoxyethoxymethoxy) tetrahydropyran-2-yl]ethanol
CID 145864151
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanol
CID 10426794
(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4-methylhex-2-en-1-ol
CID 58304496
(E,1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol
CID 59027049
(Z,1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4-methylhex-2-en-1-ol
CID 89902110
(Z,1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4-methylhex-2-en-1-ol
CID 89902111
(3aR,4S,9S,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-9-ol
CID 123678012
(3aR,4S,6Z,9S,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-9-ol
CID 140663270
(1R)-1-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 158362038

Frequently Asked Questions

What is the IUPAC name of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol?
The IUPAC name of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol (CID 91326598) is (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol.
What is the SMILES notation for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol?
The canonical SMILES for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol is C=C(CCC[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)CC(C=CC[C@H](O)[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol?
The InChIKey is WHNVTVVLTXROOQ-IFFNHCCVSA-N. The full InChI is InChI=1S/C35H66O6Si2/c1-27(17-14-18-28-19-15-20-29(39-28)23-24-38-42(10,11)33(2,3)4)25-30(41-43(12,13)34(5,6)7)21-16-22-31(36)32-26-37-35(8,9)40-32/h15-16,20-21,28-32,36H,1,14,17-19,22-26H2,2-13H3/t28-,29+,30?,31+,32-/m1/s1.
What are the key properties of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol?
(1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol has a molecular weight of 639.08 g/mol, XLogP of 9.08, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methylidenedec-3-en-1-ol is sourced from PubChem (CID 91326598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).