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

C14H28O2Si — CID 11736974

IUPAC(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol
SMILESCC(/C=C/CO)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-13(9-7-11-15)10-8-12-16-17(5,6)14(2,3)4/h7,9-10,15H,8,11-12H2,1-6H3/b9-7+,13-10+
InChIKeyUHPSIIGFWGOHAE-IJQSQKGZSA-N
MW256.46 g/mol
LogP3.89
Rot. Bonds6

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

(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol (PubChem CID 11736974) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol
PubChem CID11736974
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol
SMILESCC(/C=C/CO)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-13(9-7-11-15)10-8-12-16-17(5,6)14(2,3)4/h7,9-10,15H,8,11-12H2,1-6H3/b9-7+,13-10+
InChIKeyUHPSIIGFWGOHAE-IJQSQKGZSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 15748152
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 10489670
(Z)-5-((tert-butyldimethylsilyl)oxy)pent-2-en-1-ol
CID 15689848
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 22236659
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 60037105
5-[Tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 73877128
(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-2-en-1-ol
CID 10562301
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(Z)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-en-1-ol
CID 10778608
(2Z,7E)-2-(trimethylsilylmethyl)deca-2,7,9-trien-1-ol
CID 14176571
(Z,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-en-1-ol
CID 14336215

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol (CID 11736974) is (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol is CC(/C=C/CO)=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol?
The InChIKey is UHPSIIGFWGOHAE-IJQSQKGZSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-13(9-7-11-15)10-8-12-16-17(5,6)14(2,3)4/h7,9-10,15H,8,11-12H2,1-6H3/b9-7+,13-10+.
What are the key properties of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol?
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol is sourced from PubChem (CID 11736974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).