(E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol

C18H36O4Si — CID 10665166

IUPAC(E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol
SMILESCC1(C)OC[C@H](/C=C/C(O)CCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)21-13-9-8-10-15(19)11-12-16-14-20-18(4,5)22-16/h11-12,15-16,19H,8-10,13-14H2,1-7H3/b12-11+/t15?,16-/m0/s1
InChIKeyJBSMAFGOAJSCQV-DXMKLJGBSA-N
MW344.57 g/mol
LogP4.25
Rot. Bonds8

About (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol

(E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol (PubChem CID 10665166) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol.

Molecular Properties

Compound Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol
PubChem CID10665166
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol
SMILESCC1(C)OC[C@H](/C=C/C(O)CCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)21-13-9-8-10-15(19)11-12-16-14-20-18(4,5)22-16/h11-12,15-16,19H,8-10,13-14H2,1-7H3/b12-11+/t15?,16-/m0/s1
InChIKeyJBSMAFGOAJSCQV-DXMKLJGBSA-N
XLogP4.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(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
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(2E,4E,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-methylundeca-2,4,10-trien-1-ol
CID 46197056
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
5-(t-Butyldimethylsilanyloxymethyl)-2,2-dimethyl-4,6a-dihydro-3ah-cyclopenta[1,3]dioxol-4-ol
CID 129824909
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
[(3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methanol
CID 135026574
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol
CID 145927273
(E)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]prop-2-en-1-ol
CID 178184627

Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol?
The IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol (CID 10665166) is (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol.
What is the SMILES notation for (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol?
The canonical SMILES for (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol is CC1(C)OC[C@H](/C=C/C(O)CCCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol?
The InChIKey is JBSMAFGOAJSCQV-DXMKLJGBSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)21-13-9-8-10-15(19)11-12-16-14-20-18(4,5)22-16/h11-12,15-16,19H,8-10,13-14H2,1-7H3/b12-11+/t15?,16-/m0/s1.
What are the key properties of (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol?
(E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol has a molecular weight of 344.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-ol is sourced from PubChem (CID 10665166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).