(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol

C17H38O4Si2 — CID 134901055

IUPAC(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
SMILESC=C[C@@](O)([C@@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H38O4Si2/c1-12-17(18,22(7,8)9)15(20-13-19-6)14(2)21-23(10,11)16(3,4)5/h12,14-15,18H,1,13H2,2-11H3/t14-,15+,17+/m1/s1
InChIKeyCGKCMJBNEYDCRF-VYDXJSESSA-N
MW362.66 g/mol
LogP4.18
Rot. Bonds9

About (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol

(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol (PubChem CID 134901055) has the molecular formula C17H38O4Si2 and a molecular weight of 362.66 g/mol. Its IUPAC name is (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
PubChem CID134901055
Molecular FormulaC17H38O4Si2
Molecular Weight362.66 g/mol
Exact Mass362.23
IUPAC Name(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
SMILESC=C[C@@](O)([C@@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H38O4Si2/c1-12-17(18,22(7,8)9)15(20-13-19-6)14(2)21-23(10,11)16(3,4)5/h12,14-15,18H,1,13H2,2-11H3/t14-,15+,17+/m1/s1
InChIKeyCGKCMJBNEYDCRF-VYDXJSESSA-N
XLogP4.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxyhex-1-en-3-ol
CID 101564704
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
CID 134901054
(2E,4S,5R,7E)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(methoxymethoxy)nona-2,7-dien-4-ol
CID 10575966
(1S)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol
CID 11079344
(1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol
CID 11111598
5-[Tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)pent-1-en-3-ol
CID 101010604
(3S,4S,5R)-4-(methoxymethoxy)-5-tributylsilyloxy-3-trimethylsilylhex-1-en-3-ol
CID 101590885
(4S,5S,6R)-5-(methoxymethoxy)-6-tributylsilyloxy-4-trimethylsilylhept-1-en-4-ol
CID 101592142

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol?
The IUPAC name of (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol (CID 134901055) is (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol.
What is the SMILES notation for (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol?
The canonical SMILES for (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol is C=C[C@@](O)([C@@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol?
The InChIKey is CGKCMJBNEYDCRF-VYDXJSESSA-N. The full InChI is InChI=1S/C17H38O4Si2/c1-12-17(18,22(7,8)9)15(20-13-19-6)14(2)21-23(10,11)16(3,4)5/h12,14-15,18H,1,13H2,2-11H3/t14-,15+,17+/m1/s1.
What are the key properties of (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol?
(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol has a molecular weight of 362.66 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol is sourced from PubChem (CID 134901055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).