(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol

C15H32O4Si — CID 139252209

IUPAC(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
SMILESC=C[C@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O4Si/c1-8-13(16)14(18-12-17-5)10-9-11-19-20(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1
InChIKeyJSFCVBGAXFKKMK-KBPBESRZSA-N
MW304.50 g/mol
LogP3.32
Rot. Bonds10

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

(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol (PubChem CID 139252209) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
PubChem CID139252209
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
SMILESC=C[C@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O4Si/c1-8-13(16)14(18-12-17-5)10-9-11-19-20(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1
InChIKeyJSFCVBGAXFKKMK-KBPBESRZSA-N
XLogP3.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.32
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': '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 (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol?
The IUPAC name of (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol (CID 139252209) is (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol.
What is the SMILES notation for (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol?
The canonical SMILES for (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol is C=C[C@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol?
The InChIKey is JSFCVBGAXFKKMK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-8-13(16)14(18-12-17-5)10-9-11-19-20(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol?
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol has a molecular weight of 304.50 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol is sourced from PubChem (CID 139252209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).