(3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol

C15H30O2Si — CID 134999428

IUPAC(3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol
SMILESCC(C)[C@@H](O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-13(2)14(16)11-9-8-10-12-17-18(6,7)15(3,4)5/h8-11,13-14,16H,12H2,1-7H3/b10-8+,11-9+/t14-/m0/s1
InChIKeyPVTGOGBTASPRGA-MBEFXWHISA-N
MW270.49 g/mol
LogP4.14
Rot. Bonds6

About (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol

(3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol (PubChem CID 134999428) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol.

Molecular Properties

Compound Name(3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol
PubChem CID134999428
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol
SMILESCC(C)[C@@H](O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-13(2)14(16)11-9-8-10-12-17-18(6,7)15(3,4)5/h8-11,13-14,16H,12H2,1-7H3/b10-8+,11-9+/t14-/m0/s1
InChIKeyPVTGOGBTASPRGA-MBEFXWHISA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol?
The IUPAC name of (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol (CID 134999428) is (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol.
What is the SMILES notation for (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol?
The canonical SMILES for (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol is CC(C)[C@@H](O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol?
The InChIKey is PVTGOGBTASPRGA-MBEFXWHISA-N. The full InChI is InChI=1S/C15H30O2Si/c1-13(2)14(16)11-9-8-10-12-17-18(6,7)15(3,4)5/h8-11,13-14,16H,12H2,1-7H3/b10-8+,11-9+/t14-/m0/s1.
What are the key properties of (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol?
(3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol has a molecular weight of 270.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol is sourced from PubChem (CID 134999428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).