(E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol

C37H70O7Si3 — CID 99961403

IUPAC(E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol
SMILESCC1(C)O[C@@H]([C@](O)(CO[Si](C)(C)C(C)(C)C)/C(=C/CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C37H70O7Si3/c1-33(2,3)45(12,13)40-24-23-30(26-41-46(14,15)34(4,5)6)37(38,28-42-47(16,17)35(7,8)9)32-31(43-36(10,11)44-32)27-39-25-29-21-19-18-20-22-29/h18-23,31-32,38H,24-28H2,1-17H3/b30-23+/t31-,32-,37+/m1/s1
InChIKeyOFAMITABXAPFJQ-JZBWPASCSA-N
MW711.22 g/mol
LogP9.45
Rot. Bonds15

About (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol

(E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol (PubChem CID 99961403) has the molecular formula C37H70O7Si3 and a molecular weight of 711.22 g/mol. Its IUPAC name is (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol
PubChem CID99961403
Molecular FormulaC37H70O7Si3
Molecular Weight711.22 g/mol
Exact Mass710.44
IUPAC Name(E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol
SMILESCC1(C)O[C@@H]([C@](O)(CO[Si](C)(C)C(C)(C)C)/C(=C/CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C37H70O7Si3/c1-33(2,3)45(12,13)40-24-23-30(26-41-46(14,15)34(4,5)6)37(38,28-42-47(16,17)35(7,8)9)32-31(43-36(10,11)44-32)27-39-25-29-21-19-18-20-22-29/h18-23,31-32,38H,24-28H2,1-17H3/b30-23+/t31-,32-,37+/m1/s1
InChIKeyOFAMITABXAPFJQ-JZBWPASCSA-N
XLogP9.45
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.22
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919
[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl trifluoromethanesulfonate
CID 123946987
[(4R,5R)-5-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 73057850
2-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]acetaldehyde
CID 11149732
N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide
CID 10905421
1-[(4R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]ethanone
CID 155933007
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
ethyl 2-[[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetate
CID 102115642
(1R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 15358783
[(3aR,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102183815
1-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 101342561
(3aR,4S,6R,6aR)-4-(bromomethyl)-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 134931390

Frequently Asked Questions

What is the IUPAC name of (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol?
The IUPAC name of (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol (CID 99961403) is (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol.
What is the SMILES notation for (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol?
The canonical SMILES for (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol is CC1(C)O[C@@H]([C@](O)(CO[Si](C)(C)C(C)(C)C)/C(=C/CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol?
The InChIKey is OFAMITABXAPFJQ-JZBWPASCSA-N. The full InChI is InChI=1S/C37H70O7Si3/c1-33(2,3)45(12,13)40-24-23-30(26-41-46(14,15)34(4,5)6)37(38,28-42-47(16,17)35(7,8)9)32-31(43-36(10,11)44-32)27-39-25-29-21-19-18-20-22-29/h18-23,31-32,38H,24-28H2,1-17H3/b30-23+/t31-,32-,37+/m1/s1.
What are the key properties of (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol?
(E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol has a molecular weight of 711.22 g/mol, XLogP of 9.45, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pent-3-en-2-ol is sourced from PubChem (CID 99961403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).