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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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).