(3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol

C14H27IO2Si — CID 134896207

IUPAC(3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol
SMILESCC(/C=C/[C@H](O)CCO[Si](C)(C)C(C)(C)C)=C\I
InChIInChI=1S/C14H27IO2Si/c1-12(11-15)7-8-13(16)9-10-17-18(5,6)14(2,3)4/h7-8,11,13,16H,9-10H2,1-6H3/b8-7+,12-11+/t13-/m0/s1
InChIKeySVMNQHHSXFFPGX-CULXKKOZSA-N
MW382.36 g/mol
LogP4.65
Rot. Bonds6

About (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol

(3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol (PubChem CID 134896207) has the molecular formula C14H27IO2Si and a molecular weight of 382.36 g/mol. Its IUPAC name is (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol.

Molecular Properties

Compound Name(3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol
PubChem CID134896207
Molecular FormulaC14H27IO2Si
Molecular Weight382.36 g/mol
Exact Mass382.08
IUPAC Name(3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol
SMILESCC(/C=C/[C@H](O)CCO[Si](C)(C)C(C)(C)C)=C\I
InChIInChI=1S/C14H27IO2Si/c1-12(11-15)7-8-13(16)9-10-17-18(5,6)14(2,3)4/h7-8,11,13,16H,9-10H2,1-6H3/b8-7+,12-11+/t13-/m0/s1
InChIKeySVMNQHHSXFFPGX-CULXKKOZSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol with MolForge

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Launch Full Analysis

Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-1-ol
CID 102108790
(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol
CID 102257206
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-en-3-ol
CID 134895990
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
CID 134967812
tert-butyl-[(3R,4E,6E)-7-iodo-3-methoxy-6-methylhepta-4,6-dienoxy]-dimethylsilane
CID 134995449
(3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-4,6-dien-3-ol
CID 134999428
(E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol
CID 164677074
3-[Tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-en-1-ol
CID 44138856

Frequently Asked Questions

What is the IUPAC name of (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol?
The IUPAC name of (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol (CID 134896207) is (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol.
What is the SMILES notation for (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol?
The canonical SMILES for (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol is CC(/C=C/[C@H](O)CCO[Si](C)(C)C(C)(C)C)=C\I.
What is the InChIKey of (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol?
The InChIKey is SVMNQHHSXFFPGX-CULXKKOZSA-N. The full InChI is InChI=1S/C14H27IO2Si/c1-12(11-15)7-8-13(16)9-10-17-18(5,6)14(2,3)4/h7-8,11,13,16H,9-10H2,1-6H3/b8-7+,12-11+/t13-/m0/s1.
What are the key properties of (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol?
(3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol has a molecular weight of 382.36 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol is sourced from PubChem (CID 134896207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).