3,5,6-trimethyloct-1-ene

C11H22 — CID 90839581

IUPAC3,5,6-trimethyloct-1-ene
SMILESC=CC(C)CC(C)C(C)CC
InChIInChI=1S/C11H22/c1-6-9(3)8-11(5)10(4)7-2/h6,9-11H,1,7-8H2,2-5H3
InChIKeyBHIITBVSFCRXBT-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds5

About 3,5,6-trimethyloct-1-ene

3,5,6-trimethyloct-1-ene (PubChem CID 90839581) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3,5,6-trimethyloct-1-ene.

Molecular Properties

Compound Name3,5,6-trimethyloct-1-ene
PubChem CID90839581
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3,5,6-trimethyloct-1-ene
SMILESC=CC(C)CC(C)C(C)CC
InChIInChI=1S/C11H22/c1-6-9(3)8-11(5)10(4)7-2/h6,9-11H,1,7-8H2,2-5H3
InChIKeyBHIITBVSFCRXBT-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-3,5-dimethylheptane
CID 90755259
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
(5S)-3,5-dimethyl-6-nitrosohept-1-ene
CID 174002272
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
CID 91437014
CID 91437014
carboxy hydrogen carbonate;3-methylpent-1-ene
CID 175053878
N,2,4,5-tetramethyl-N-prop-2-enylheptan-1-amine
CID 155010405
(3R,4R,5S)-3,5-dimethylhept-1-en-4-ol
CID 12703990
3-ethenyl-2,5-dimethylhept-6-en-1-amine
CID 139449270

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyloct-1-ene?
The IUPAC name of 3,5,6-trimethyloct-1-ene (CID 90839581) is 3,5,6-trimethyloct-1-ene.
What is the SMILES notation for 3,5,6-trimethyloct-1-ene?
The canonical SMILES for 3,5,6-trimethyloct-1-ene is C=CC(C)CC(C)C(C)CC.
What is the InChIKey of 3,5,6-trimethyloct-1-ene?
The InChIKey is BHIITBVSFCRXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-9(3)8-11(5)10(4)7-2/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of 3,5,6-trimethyloct-1-ene?
3,5,6-trimethyloct-1-ene has a molecular weight of 154.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyloct-1-ene is sourced from PubChem (CID 90839581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).