[(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol

C24H48O3Si — CID 11292850

IUPAC[(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol
SMILESCC(C)C/C=C/[C@H](C[C@@H]1CC[C@H](C)[C@@H](CO)O1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H48O3Si/c1-17(2)11-10-12-23(15-22-14-13-21(9)24(16-25)26-22)27-28(18(3)4,19(5)6)20(7)8/h10,12,17-25H,11,13-16H2,1-9H3/b12-10+/t21-,22-,23+,24+/m0/s1
InChIKeyVIEWQESTMXLOHJ-GRIOZMCCSA-N
MW412.73 g/mol
LogP6.72
Rot. Bonds11

About [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol

[(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol (PubChem CID 11292850) has the molecular formula C24H48O3Si and a molecular weight of 412.73 g/mol. Its IUPAC name is [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol
PubChem CID11292850
Molecular FormulaC24H48O3Si
Molecular Weight412.73 g/mol
Exact Mass412.34
IUPAC Name[(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol
SMILESCC(C)C/C=C/[C@H](C[C@@H]1CC[C@H](C)[C@@H](CO)O1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H48O3Si/c1-17(2)11-10-12-23(15-22-14-13-21(9)24(16-25)26-22)27-28(18(3)4,19(5)6)20(7)8/h10,12,17-25H,11,13-16H2,1-9H3/b12-10+/t21-,22-,23+,24+/m0/s1
InChIKeyVIEWQESTMXLOHJ-GRIOZMCCSA-N
XLogP6.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
(E,4S)-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pent-2-en-1-ol
CID 16680394
[(3R)-3-[(E,2R,3S,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 135012529
(6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,12-dien-10-yne-2,3-diol
CID 135022043
(6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol
CID 135022083
Cyclohexanemethanol, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-alpha-1-propen-1-yl-
CID 6442723
(4S,6S)-7-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-6-methoxyhept-1-en-4-ol
CID 16726295
tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[(2S)-2-methoxypent-4-enyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane
CID 102089060
[(2S,3S)-3-[(E,2S,3R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 10884763
(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
CID 11111018
[(2R,3S)-3-[(E,2S,3R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 15457492
(E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol
CID 58241880

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol?
The IUPAC name of [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol (CID 11292850) is [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol is CC(C)C/C=C/[C@H](C[C@@H]1CC[C@H](C)[C@@H](CO)O1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol?
The InChIKey is VIEWQESTMXLOHJ-GRIOZMCCSA-N. The full InChI is InChI=1S/C24H48O3Si/c1-17(2)11-10-12-23(15-22-14-13-21(9)24(16-25)26-22)27-28(18(3)4,19(5)6)20(7)8/h10,12,17-25H,11,13-16H2,1-9H3/b12-10+/t21-,22-,23+,24+/m0/s1.
What are the key properties of [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol?
[(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol has a molecular weight of 412.73 g/mol, XLogP of 6.72, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]methanol is sourced from PubChem (CID 11292850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).