3,5,6,6-tetramethyloct-1-ene

C12H24 — CID 123650579

IUPAC3,5,6,6-tetramethyloct-1-ene
SMILESC=CC(C)CC(C)C(C)(C)CC
InChIInChI=1S/C12H24/c1-7-10(3)9-11(4)12(5,6)8-2/h7,10-11H,1,8-9H2,2-6H3
InChIKeyIGEVDKYKGSFUGV-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds5

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

3,5,6,6-tetramethyloct-1-ene (PubChem CID 123650579) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,5,6,6-tetramethyloct-1-ene.

Molecular Properties

Compound Name3,5,6,6-tetramethyloct-1-ene
PubChem CID123650579
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,5,6,6-tetramethyloct-1-ene
SMILESC=CC(C)CC(C)C(C)(C)CC
InChIInChI=1S/C12H24/c1-7-10(3)9-11(4)12(5,6)8-2/h7,10-11H,1,8-9H2,2-6H3
InChIKeyIGEVDKYKGSFUGV-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
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

(3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol
CID 126490264
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
N-ethenyl-2,3,3-trimethylpentan-1-amine
CID 144685740
5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane
CID 123951483
N,3,5-trimethylhept-6-en-3-amine
CID 89228225
3,5,6-trimethyloct-1-ene
CID 90839581
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
3,5,5-trimethyloct-1-ene
CID 123557497
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
2-(2-methylbutan-2-yl)pent-4-enal
CID 87485643
3-ethyl-5,6,6-trimethyloct-2-ene
CID 123986789
7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane
CID 123601106

Frequently Asked Questions

What is the IUPAC name of 3,5,6,6-tetramethyloct-1-ene?
The IUPAC name of 3,5,6,6-tetramethyloct-1-ene (CID 123650579) is 3,5,6,6-tetramethyloct-1-ene.
What is the SMILES notation for 3,5,6,6-tetramethyloct-1-ene?
The canonical SMILES for 3,5,6,6-tetramethyloct-1-ene is C=CC(C)CC(C)C(C)(C)CC.
What is the InChIKey of 3,5,6,6-tetramethyloct-1-ene?
The InChIKey is IGEVDKYKGSFUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-7-10(3)9-11(4)12(5,6)8-2/h7,10-11H,1,8-9H2,2-6H3.
What are the key properties of 3,5,6,6-tetramethyloct-1-ene?
3,5,6,6-tetramethyloct-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,6-tetramethyloct-1-ene is sourced from PubChem (CID 123650579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).