(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol

C18H34O4Si — CID 10593438

IUPAC(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-10-12-13(19)15-16(21-18(6,7)20-15)14(11-2)22-23(8,9)17(3,4)5/h10-11,13-16,19H,1-2,12H2,3-9H3/t13-,14-,15-,16+/m1/s1
InChIKeyWXNLOXVYAFCKOI-FPCVCCKLSA-N
MW342.55 g/mol
LogP4.02
Rot. Bonds7

About (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol

(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol (PubChem CID 10593438) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
PubChem CID10593438
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-10-12-13(19)15-16(21-18(6,7)20-15)14(11-2)22-23(8,9)17(3,4)5/h10-11,13-16,19H,1-2,12H2,3-9H3/t13-,14-,15-,16+/m1/s1
InChIKeyWXNLOXVYAFCKOI-FPCVCCKLSA-N
XLogP4.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(E,1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-en-1-ol
CID 11100828
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
CID 56838093
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841869
1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 135024857
tert-butyl-dimethyl-[(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-yl]oxysilane
CID 135039837
[(2R,4S,5S)-4-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]oxy-5-prop-2-enyloxolan-2-yl]methanol
CID 138963627
(4S,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)dodec-1-en-4-ol
CID 138967169

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol?
The IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol (CID 10593438) is (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol is C=CC[C@@H](O)[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol?
The InChIKey is WXNLOXVYAFCKOI-FPCVCCKLSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-10-12-13(19)15-16(21-18(6,7)20-15)14(11-2)22-23(8,9)17(3,4)5/h10-11,13-16,19H,1-2,12H2,3-9H3/t13-,14-,15-,16+/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol?
(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol has a molecular weight of 342.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol is sourced from PubChem (CID 10593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).