(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol

C30H64O4Si3 — CID 122219893

IUPAC(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H64O4Si3/c1-19-26(33-36(15,16)29(7,8)9)23(2)20-21-25(31)27(34-37(17,18)30(10,11)12)24(3)22-32-35(13,14)28(4,5)6/h19-21,23-27,31H,1,22H2,2-18H3/b21-20+/t23-,24-,25-,26+,27-/m1/s1
InChIKeyJHABNHWDGKUGQW-JNWZGMRCSA-N
MW573.10 g/mol
LogP9.16
Rot. Bonds13

About (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol

(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol (PubChem CID 122219893) has the molecular formula C30H64O4Si3 and a molecular weight of 573.10 g/mol. Its IUPAC name is (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol
PubChem CID122219893
Molecular FormulaC30H64O4Si3
Molecular Weight573.10 g/mol
Exact Mass572.41
IUPAC Name(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H64O4Si3/c1-19-26(33-36(15,16)29(7,8)9)23(2)20-21-25(31)27(34-37(17,18)30(10,11)12)24(3)22-32-35(13,14)28(4,5)6/h19-21,23-27,31H,1,22H2,2-18H3/b21-20+/t23-,24-,25-,26+,27-/m1/s1
InChIKeyJHABNHWDGKUGQW-JNWZGMRCSA-N
XLogP9.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.10
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol with MolForge

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Related Compounds

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CID 14175294
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(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331
(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol
CID 71819486
(3R,4R,5S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyloct-1-en-4-ol
CID 101106261
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
(E,2S,3R)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhept-4-en-3-ol
CID 101339681
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2S,3Z,6S)-1-[tert-butyl(dimethyl)silyl]oxyocta-3,7-diene-2,6-diol
CID 10540140

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol?
The IUPAC name of (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol (CID 122219893) is (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol.
What is the SMILES notation for (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol?
The canonical SMILES for (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol?
The InChIKey is JHABNHWDGKUGQW-JNWZGMRCSA-N. The full InChI is InChI=1S/C30H64O4Si3/c1-19-26(33-36(15,16)29(7,8)9)23(2)20-21-25(31)27(34-37(17,18)30(10,11)12)24(3)22-32-35(13,14)28(4,5)6/h19-21,23-27,31H,1,22H2,2-18H3/b21-20+/t23-,24-,25-,26+,27-/m1/s1.
What are the key properties of (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol?
(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol has a molecular weight of 573.10 g/mol, XLogP of 9.16, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol is sourced from PubChem (CID 122219893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).