1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol

C19H38O7Si — CID 19782545

IUPAC1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
SMILESC=CC(OCOCCOC)C(O)CC1(CO[Si](C)(C)C(C)(C)C)OCCO1
InChIInChI=1S/C19H38O7Si/c1-8-17(23-15-22-10-9-21-5)16(20)13-19(24-11-12-25-19)14-26-27(6,7)18(2,3)4/h8,16-17,20H,1,9-15H2,2-7H3
InChIKeyOMKOSHZXWARARC-UHFFFAOYSA-N
MW406.59 g/mol
LogP2.69
Rot. Bonds13

About 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol

1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol (PubChem CID 19782545) has the molecular formula C19H38O7Si and a molecular weight of 406.59 g/mol. Its IUPAC name is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol.

Molecular Properties

Compound Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
PubChem CID19782545
Molecular FormulaC19H38O7Si
Molecular Weight406.59 g/mol
Exact Mass406.24
IUPAC Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
SMILESC=CC(OCOCCOC)C(O)CC1(CO[Si](C)(C)C(C)(C)C)OCCO1
InChIInChI=1S/C19H38O7Si/c1-8-17(23-15-22-10-9-21-5)16(20)13-19(24-11-12-25-19)14-26-27(6,7)18(2,3)4/h8,16-17,20H,1,9-15H2,2-7H3
InChIKeyOMKOSHZXWARARC-UHFFFAOYSA-N
XLogP2.69
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
CID 11268781
(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol
CID 11709271
(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850136
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
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
(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
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
[(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
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hept-1-en-3-ol
CID 139252190
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
CID 139252209

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol (CID 19782545) is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol.
What is the SMILES notation for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The canonical SMILES for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol is C=CC(OCOCCOC)C(O)CC1(CO[Si](C)(C)C(C)(C)C)OCCO1.
What is the InChIKey of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The InChIKey is OMKOSHZXWARARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O7Si/c1-8-17(23-15-22-10-9-21-5)16(20)13-19(24-11-12-25-19)14-26-27(6,7)18(2,3)4/h8,16-17,20H,1,9-15H2,2-7H3.
What are the key properties of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol has a molecular weight of 406.59 g/mol, XLogP of 2.69, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol is sourced from PubChem (CID 19782545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).