(2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol

C18H36O2Si — CID 135009298

IUPAC(2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol
SMILESC/C=C(\C)C[C@@H](O)[C@H](C)/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-10-14(2)12-17(19)16(4)11-15(3)13-20-21(8,9)18(5,6)7/h10-11,16-17,19H,12-13H2,1-9H3/b14-10+,15-11+/t16-,17-/m1/s1
InChIKeyIYKGOQPAPITLHG-XUGLWYKQSA-N
MW312.57 g/mol
LogP5.31
Rot. Bonds7

About (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol

(2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol (PubChem CID 135009298) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol.

Molecular Properties

Compound Name(2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol
PubChem CID135009298
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol
SMILESC/C=C(\C)C[C@@H](O)[C@H](C)/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-10-14(2)12-17(19)16(4)11-15(3)13-20-21(8,9)18(5,6)7/h10-11,16-17,19H,12-13H2,1-9H3/b14-10+,15-11+/t16-,17-/m1/s1
InChIKeyIYKGOQPAPITLHG-XUGLWYKQSA-N
XLogP5.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol with MolForge

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Launch Full Analysis

Related Compounds

(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
(Z)-7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 21651787
7-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 54233189
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(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
(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol
CID 11295937
(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

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol?
The IUPAC name of (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol (CID 135009298) is (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol.
What is the SMILES notation for (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol?
The canonical SMILES for (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol is C/C=C(\C)C[C@@H](O)[C@H](C)/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol?
The InChIKey is IYKGOQPAPITLHG-XUGLWYKQSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-10-14(2)12-17(19)16(4)11-15(3)13-20-21(8,9)18(5,6)7/h10-11,16-17,19H,12-13H2,1-9H3/b14-10+,15-11+/t16-,17-/m1/s1.
What are the key properties of (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol?
(2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol has a molecular weight of 312.57 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol is sourced from PubChem (CID 135009298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).