3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol

C13H26OSi — CID 134889760

IUPAC3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol
SMILESC=C(C(C)(O)CCC=C(C)C)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-11(2)9-8-10-13(4,14)12(3)15(5,6)7/h9,14H,3,8,10H2,1-2,4-7H3
InChIKeyKBVLZJZGDSHGSF-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.92
Rot. Bonds5

About 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol

3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol (PubChem CID 134889760) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol
PubChem CID134889760
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol
SMILESC=C(C(C)(O)CCC=C(C)C)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-11(2)9-8-10-13(4,14)12(3)15(5,6)7/h9,14H,3,8,10H2,1-2,4-7H3
InChIKeyKBVLZJZGDSHGSF-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol?
The IUPAC name of 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol (CID 134889760) is 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol.
What is the SMILES notation for 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol?
The canonical SMILES for 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol is C=C(C(C)(O)CCC=C(C)C)[Si](C)(C)C.
What is the InChIKey of 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol?
The InChIKey is KBVLZJZGDSHGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11(2)9-8-10-13(4,14)12(3)15(5,6)7/h9,14H,3,8,10H2,1-2,4-7H3.
What are the key properties of 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol?
3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol has a molecular weight of 226.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-trimethylsilylocta-1,6-dien-3-ol is sourced from PubChem (CID 134889760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).