3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol

C13H28OSi — CID 175737514

IUPAC3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol
SMILESCC(C)=CCCC(C)CC(O)[Si](C)(C)C
InChIInChI=1S/C13H28OSi/c1-11(2)8-7-9-12(3)10-13(14)15(4,5)6/h8,12-14H,7,9-10H2,1-6H3
InChIKeyZZFQDXZGZBPFNK-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.00
Rot. Bonds6

About 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol

3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol (PubChem CID 175737514) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol.

Molecular Properties

Compound Name3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol
PubChem CID175737514
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol
SMILESCC(C)=CCCC(C)CC(O)[Si](C)(C)C
InChIInChI=1S/C13H28OSi/c1-11(2)8-7-9-12(3)10-13(14)15(4,5)6/h8,12-14H,7,9-10H2,1-6H3
InChIKeyZZFQDXZGZBPFNK-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.00
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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Related Compounds

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CID 8842
Beta-citronellol, (S)-
CID 7793
beta-CITRONELLOL, (R)-
CID 101977
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
2,4,7-Trimethyloct-6-en-1-ol
CID 126505187
3,7-Dimethylnon-6-en-1-ol
CID 544330
(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol
CID 24892719
Geranylcitronellol
CID 5365870
Dihydrofarnesol
CID 5280341
3S,7,11-Trimethyl-6E,10-dodecadien-1-ol
CID 11160445
2,3-Dihydrofarnesol
CID 15584898
3,7-Dimethyl-2-methyleneoct-6-en-1-ol, (S)-
CID 11105762

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol?
The IUPAC name of 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol (CID 175737514) is 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol.
What is the SMILES notation for 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol?
The canonical SMILES for 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol is CC(C)=CCCC(C)CC(O)[Si](C)(C)C.
What is the InChIKey of 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol?
The InChIKey is ZZFQDXZGZBPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-11(2)8-7-9-12(3)10-13(14)15(4,5)6/h8,12-14H,7,9-10H2,1-6H3.
What are the key properties of 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol?
3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol has a molecular weight of 228.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-trimethylsilyloct-6-en-1-ol is sourced from PubChem (CID 175737514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).