(2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol

C19H40O3Si2 — CID 140719068

IUPAC(2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol
SMILESC=CC(C/C=C/CO)CO[Si](C)(C)O[Si](C)(C)CCCCC(C)C
InChIInChI=1S/C19H40O3Si2/c1-8-19(14-9-11-15-20)17-21-24(6,7)22-23(4,5)16-12-10-13-18(2)3/h8-9,11,18-20H,1,10,12-17H2,2-7H3/b11-9+
InChIKeyZVZSWJMDLZYQBU-PKNBQFBNSA-N
MW372.70 g/mol
LogP5.49
Rot. Bonds14

About (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol

(2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol (PubChem CID 140719068) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol
PubChem CID140719068
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol
SMILESC=CC(C/C=C/CO)CO[Si](C)(C)O[Si](C)(C)CCCCC(C)C
InChIInChI=1S/C19H40O3Si2/c1-8-19(14-9-11-15-20)17-21-24(6,7)22-23(4,5)16-12-10-13-18(2)3/h8-9,11,18-20H,1,10,12-17H2,2-7H3/b11-9+
InChIKeyZVZSWJMDLZYQBU-PKNBQFBNSA-N
XLogP5.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol?
The IUPAC name of (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol (CID 140719068) is (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol.
What is the SMILES notation for (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol?
The canonical SMILES for (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol is C=CC(C/C=C/CO)CO[Si](C)(C)O[Si](C)(C)CCCCC(C)C.
What is the InChIKey of (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol?
The InChIKey is ZVZSWJMDLZYQBU-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-8-19(14-9-11-15-20)17-21-24(6,7)22-23(4,5)16-12-10-13-18(2)3/h8-9,11,18-20H,1,10,12-17H2,2-7H3/b11-9+.
What are the key properties of (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol?
(2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol has a molecular weight of 372.70 g/mol, XLogP of 5.49, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol is sourced from PubChem (CID 140719068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).