(1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol

C15H29IO2Si — CID 11269472

IUPAC(1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol
SMILESCC[Si](CC)(O[C@H](C)/C=C/C(O)/C(C)=C\I)C(C)C
InChIInChI=1S/C15H29IO2Si/c1-7-19(8-2,12(3)4)18-14(6)9-10-15(17)13(5)11-16/h9-12,14-15,17H,7-8H2,1-6H3/b10-9+,13-11-/t14-,15?/m1/s1
InChIKeyHAHGWLDXIVXLHF-FZFMMJDWSA-N
MW396.39 g/mol
LogP5.04
Rot. Bonds8

About (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol

(1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol (PubChem CID 11269472) has the molecular formula C15H29IO2Si and a molecular weight of 396.39 g/mol. Its IUPAC name is (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol.

Molecular Properties

Compound Name(1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol
PubChem CID11269472
Molecular FormulaC15H29IO2Si
Molecular Weight396.39 g/mol
Exact Mass396.10
IUPAC Name(1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol
SMILESCC[Si](CC)(O[C@H](C)/C=C/C(O)/C(C)=C\I)C(C)C
InChIInChI=1S/C15H29IO2Si/c1-7-19(8-2,12(3)4)18-14(6)9-10-15(17)13(5)11-16/h9-12,14-15,17H,7-8H2,1-6H3/b10-9+,13-11-/t14-,15?/m1/s1
InChIKeyHAHGWLDXIVXLHF-FZFMMJDWSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.39
LogP ≤ 55.04
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol
CID 141121837
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane
CID 11035195
(1E,4E)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 12935881
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-iodopent-2-en-1-ol
CID 44185414
(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol
CID 102257206
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
CID 122371218
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 129403734
(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol
CID 132916242
(3R,4E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-7-iodo-6-methylhepta-4,6-dien-3-ol
CID 134896207
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol
CID 134898090

Frequently Asked Questions

What is the IUPAC name of (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol?
The IUPAC name of (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol (CID 11269472) is (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol.
What is the SMILES notation for (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol?
The canonical SMILES for (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol is CC[Si](CC)(O[C@H](C)/C=C/C(O)/C(C)=C\I)C(C)C.
What is the InChIKey of (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol?
The InChIKey is HAHGWLDXIVXLHF-FZFMMJDWSA-N. The full InChI is InChI=1S/C15H29IO2Si/c1-7-19(8-2,12(3)4)18-14(6)9-10-15(17)13(5)11-16/h9-12,14-15,17H,7-8H2,1-6H3/b10-9+,13-11-/t14-,15?/m1/s1.
What are the key properties of (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol?
(1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol has a molecular weight of 396.39 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol is sourced from PubChem (CID 11269472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).