(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol

C18H34O2Si — CID 102289952

IUPAC(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/C1=CCCCC1
InChIInChI=1S/C18H34O2Si/c1-15(14-20-21(5,6)18(2,3)4)17(19)13-12-16-10-8-7-9-11-16/h10,12-13,15,17,19H,7-9,11,14H2,1-6H3/b13-12+/t15-,17+/m1/s1
InChIKeyOQIJRXURJIGCJG-FDYUBVLSSA-N
MW310.55 g/mol
LogP5.06
Rot. Bonds6

About (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol

(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol (PubChem CID 102289952) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol
PubChem CID102289952
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/C1=CCCCC1
InChIInChI=1S/C18H34O2Si/c1-15(14-20-21(5,6)18(2,3)4)17(19)13-12-16-10-8-7-9-11-16/h10,12-13,15,17,19H,7-9,11,14H2,1-6H3/b13-12+/t15-,17+/m1/s1
InChIKeyOQIJRXURJIGCJG-FDYUBVLSSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol with MolForge

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Related Compounds

(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(2R,3R,4Z,8E,10E)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-9-methyloctadeca-4,8,10-triene-1,3-diol
CID 45258501
(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
CID 46180291
(2E,4Z,6Z,8S,9S,10E)-13-[tert-butyl(dimethyl)silyl]oxy-4,6,8,11-tetramethyltrideca-2,4,6,10-tetraene-1,9-diol
CID 46180292

Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol?
The IUPAC name of (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol (CID 102289952) is (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol.
What is the SMILES notation for (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol?
The canonical SMILES for (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/C1=CCCCC1.
What is the InChIKey of (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol?
The InChIKey is OQIJRXURJIGCJG-FDYUBVLSSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-15(14-20-21(5,6)18(2,3)4)17(19)13-12-16-10-8-7-9-11-16/h10,12-13,15,17,19H,7-9,11,14H2,1-6H3/b13-12+/t15-,17+/m1/s1.
What are the key properties of (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol?
(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol has a molecular weight of 310.55 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol is sourced from PubChem (CID 102289952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).