2,5,6-trimethylocta-2,3-diene

C11H20 — CID 123715918

IUPAC2,5,6-trimethylocta-2,3-diene
SMILESCCC(C)C(C)C=C=C(C)C
InChIInChI=1S/C11H20/c1-6-10(4)11(5)8-7-9(2)3/h8,10-11H,6H2,1-5H3
InChIKeyNFWNZLBCVOQBIL-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.79
Rot. Bonds3

About 2,5,6-trimethylocta-2,3-diene

2,5,6-trimethylocta-2,3-diene (PubChem CID 123715918) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,5,6-trimethylocta-2,3-diene.

Molecular Properties

Compound Name2,5,6-trimethylocta-2,3-diene
PubChem CID123715918
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,5,6-trimethylocta-2,3-diene
SMILESCCC(C)C(C)C=C=C(C)C
InChIInChI=1S/C11H20/c1-6-10(4)11(5)8-7-9(2)3/h8,10-11H,6H2,1-5H3
InChIKeyNFWNZLBCVOQBIL-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-dimethylhex-1-en-1-one
CID 177362101
(3Z)-3,5,6-trimethylocta-1,3-diene
CID 165141677
(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol
CID 59516406
2,7-dimethylnona-2,3-diene
CID 123700198
2,3,6-trimethylhepta-4,5-dien-3-ol
CID 12555430
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
(E)-5,6-dimethyloct-3-enoic acid
CID 155168954
3,6,7-trimethylnon-2-ene
CID 123488713
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(4R)-2,4-dimethylhex-2-ene
CID 142611901
(2S,3R)-3-methylpentan-2-ol
CID 6993006

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethylocta-2,3-diene?
The IUPAC name of 2,5,6-trimethylocta-2,3-diene (CID 123715918) is 2,5,6-trimethylocta-2,3-diene.
What is the SMILES notation for 2,5,6-trimethylocta-2,3-diene?
The canonical SMILES for 2,5,6-trimethylocta-2,3-diene is CCC(C)C(C)C=C=C(C)C.
What is the InChIKey of 2,5,6-trimethylocta-2,3-diene?
The InChIKey is NFWNZLBCVOQBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-6-10(4)11(5)8-7-9(2)3/h8,10-11H,6H2,1-5H3.
What are the key properties of 2,5,6-trimethylocta-2,3-diene?
2,5,6-trimethylocta-2,3-diene has a molecular weight of 152.28 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethylocta-2,3-diene is sourced from PubChem (CID 123715918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).