(Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol

C48H96O7SiSn2 — CID 138984961

IUPAC(Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol
SMILESCCCC[Sn](/C=C(/[C@@H](O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@@H](/C=C/[C@H](C)CC2OCCO2)OCOC)O1)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/C24H42O7Si.6C4H9.2Sn/c1-9-18(25)20-15-21(31-32(7,8)24(3,4)5)23(30-20)19(29-16-26-6)11-10-17(2)14-22-27-12-13-28-22;6*1-3-4-2;;/h1,10-11,17-23,25H,12-16H2,2-8H3;6*1,3-4H2,2H3;;/b9-1?,11-10+;;;;;;;;/t17-,18+,19+,20+,21-,23-;;;;;;;;/m0......../s1
InChIKeyHWBBNGYVHPWGDF-UMWOXXGPSA-N
MW1050.80 g/mol
LogP13.54
Rot. Bonds32

About (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol

(Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol (PubChem CID 138984961) has the molecular formula C48H96O7SiSn2 and a molecular weight of 1050.80 g/mol. Its IUPAC name is (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol
PubChem CID138984961
Molecular FormulaC48H96O7SiSn2
Molecular Weight1050.80 g/mol
Exact Mass1052.50
IUPAC Name(Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol
SMILESCCCC[Sn](/C=C(/[C@@H](O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@@H](/C=C/[C@H](C)CC2OCCO2)OCOC)O1)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/C24H42O7Si.6C4H9.2Sn/c1-9-18(25)20-15-21(31-32(7,8)24(3,4)5)23(30-20)19(29-16-26-6)11-10-17(2)14-22-27-12-13-28-22;6*1-3-4-2;;/h1,10-11,17-23,25H,12-16H2,2-8H3;6*1,3-4H2,2H3;;/b9-1?,11-10+;;;;;;;;/t17-,18+,19+,20+,21-,23-;;;;;;;;/m0......../s1
InChIKeyHWBBNGYVHPWGDF-UMWOXXGPSA-N
XLogP13.54
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.80
LogP ≤ 513.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol with MolForge

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Related Compounds

(3aR,6S,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 10805239
(1R)-1-[(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]-3-trimethylsilylprop-2-yn-1-ol
CID 138985048
[(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
(Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol
CID 59467047
(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
tert-butyl-[2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 159825375
(3aS,6S,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol;(1S)-1-[(4S,5R)-2,2-dimethyl-5-tetradec-1-enyl-1,3-dioxolan-4-yl]propan-1-ol
CID 160617513
tert-butyl-[2-[(4S,5S)-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5S)-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 161820619
(1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol
CID 10510098
(E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol
CID 10581039
(E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol
CID 10628908

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol?
The IUPAC name of (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol (CID 138984961) is (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol.
What is the SMILES notation for (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol?
The canonical SMILES for (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol is CCCC[Sn](/C=C(/[C@@H](O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@@H](/C=C/[C@H](C)CC2OCCO2)OCOC)O1)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC.
What is the InChIKey of (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol?
The InChIKey is HWBBNGYVHPWGDF-UMWOXXGPSA-N. The full InChI is InChI=1S/C24H42O7Si.6C4H9.2Sn/c1-9-18(25)20-15-21(31-32(7,8)24(3,4)5)23(30-20)19(29-16-26-6)11-10-17(2)14-22-27-12-13-28-22;6*1-3-4-2;;/h1,10-11,17-23,25H,12-16H2,2-8H3;6*1,3-4H2,2H3;;/b9-1?,11-10+;;;;;;;;/t17-,18+,19+,20+,21-,23-;;;;;;;;/m0......../s1.
What are the key properties of (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol?
(Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol has a molecular weight of 1050.80 g/mol, XLogP of 13.54, 32 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-[(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]-2,3-bis(tributylstannyl)prop-2-en-1-ol is sourced from PubChem (CID 138984961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).