2,5,7,7-tetramethylocta-2,3,4-triene

C12H20 — CID 12614317

IUPAC2,5,7,7-tetramethylocta-2,3,4-triene
SMILESCC(C)=C=C=C(C)CC(C)(C)C
InChIInChI=1S/C12H20/c1-10(2)7-8-11(3)9-12(4,5)6/h9H2,1-6H3
InChIKeyBXZBDRRIFQBAIP-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds1

About 2,5,7,7-tetramethylocta-2,3,4-triene

2,5,7,7-tetramethylocta-2,3,4-triene (PubChem CID 12614317) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,5,7,7-tetramethylocta-2,3,4-triene.

Molecular Properties

Compound Name2,5,7,7-tetramethylocta-2,3,4-triene
PubChem CID12614317
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,5,7,7-tetramethylocta-2,3,4-triene
SMILESCC(C)=C=C=C(C)CC(C)(C)C
InChIInChI=1S/C12H20/c1-10(2)7-8-11(3)9-12(4,5)6/h9H2,1-6H3
InChIKeyBXZBDRRIFQBAIP-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,4-Trimethyl-1-pentene
CID 7868
2,4,4-Trimethyl-1-hexene
CID 142817
1,3-Butadiene, 2,3-di(tert-butyl)-
CID 137912
1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-
CID 138613
2-Hexene, 2,3,5,5-tetramethyl-
CID 141765
1-Butene, 2-ethyl-3,3-dimethyl
CID 519529
1,2-Pentadiene, 3-(1,1-dimethylethyl)-4,4-dimethyl-
CID 140940
2,3,3-Trimethyl-1-hexene
CID 530395
2,5,5-Trimethyl-1-hexene
CID 545898
Cyclopropane, tetramethyl(2-methyl-1-propenylidene)-
CID 139426
1,1,2-Trimethyl-3-(2-methylprop-1-en-1-ylidene)cyclopropane
CID 139833
2,3,3,4,4-Pentamethylpent-1-ene
CID 13031514

Frequently Asked Questions

What is the IUPAC name of 2,5,7,7-tetramethylocta-2,3,4-triene?
The IUPAC name of 2,5,7,7-tetramethylocta-2,3,4-triene (CID 12614317) is 2,5,7,7-tetramethylocta-2,3,4-triene.
What is the SMILES notation for 2,5,7,7-tetramethylocta-2,3,4-triene?
The canonical SMILES for 2,5,7,7-tetramethylocta-2,3,4-triene is CC(C)=C=C=C(C)CC(C)(C)C.
What is the InChIKey of 2,5,7,7-tetramethylocta-2,3,4-triene?
The InChIKey is BXZBDRRIFQBAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)7-8-11(3)9-12(4,5)6/h9H2,1-6H3.
What are the key properties of 2,5,7,7-tetramethylocta-2,3,4-triene?
2,5,7,7-tetramethylocta-2,3,4-triene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,7-tetramethylocta-2,3,4-triene is sourced from PubChem (CID 12614317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).