3-trimethylsilylhexa-4,5-dien-1-ol

C9H18OSi — CID 11263756

IUPAC3-trimethylsilylhexa-4,5-dien-1-ol
SMILESC=C=CC(CCO)[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-6-9(7-8-10)11(2,3)4/h6,9-10H,1,7-8H2,2-4H3
InChIKeyGTPJXYVPXSFVJD-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.42
Rot. Bonds4

About 3-trimethylsilylhexa-4,5-dien-1-ol

3-trimethylsilylhexa-4,5-dien-1-ol (PubChem CID 11263756) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 3-trimethylsilylhexa-4,5-dien-1-ol.

Molecular Properties

Compound Name3-trimethylsilylhexa-4,5-dien-1-ol
PubChem CID11263756
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name3-trimethylsilylhexa-4,5-dien-1-ol
SMILESC=C=CC(CCO)[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-6-9(7-8-10)11(2,3)4/h6,9-10H,1,7-8H2,2-4H3
InChIKeyGTPJXYVPXSFVJD-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylhexa-4,5-dien-1-ol?
The IUPAC name of 3-trimethylsilylhexa-4,5-dien-1-ol (CID 11263756) is 3-trimethylsilylhexa-4,5-dien-1-ol.
What is the SMILES notation for 3-trimethylsilylhexa-4,5-dien-1-ol?
The canonical SMILES for 3-trimethylsilylhexa-4,5-dien-1-ol is C=C=CC(CCO)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylhexa-4,5-dien-1-ol?
The InChIKey is GTPJXYVPXSFVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-5-6-9(7-8-10)11(2,3)4/h6,9-10H,1,7-8H2,2-4H3.
What are the key properties of 3-trimethylsilylhexa-4,5-dien-1-ol?
3-trimethylsilylhexa-4,5-dien-1-ol has a molecular weight of 170.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylhexa-4,5-dien-1-ol is sourced from PubChem (CID 11263756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).