1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene

C14H24 — CID 600937

IUPAC1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene
SMILESCC1=C(C)C(C)(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C14H24/c1-9-10(2)14(7,8)12(4)11(3)13(9,5)6/h1-8H3
InChIKeyLURCSAVEJFMQDA-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds

About 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene

1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene (PubChem CID 600937) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene
PubChem CID600937
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene
SMILESCC1=C(C)C(C)(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C14H24/c1-9-10(2)14(7,8)12(4)11(3)13(9,5)6/h1-8H3
InChIKeyLURCSAVEJFMQDA-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
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

Npc36747
CID 5369064
2-Hexene, 2,3,5,5-tetramethyl-
CID 141765
(E)-2,3-Di-tert-butyl-2-butene
CID 638064
1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl-
CID 138108
3,4,4-Trimethylhex-2-ene
CID 521474
(Z)-2,3-Di-tert-butyl-2-butene
CID 3036372
2,3,4,4-Tetramethyl-2-pentene
CID 12923851
2,3,4-Trimethylhex-2-ene
CID 17861707
2,5,5-Trimethyl-2-heptene
CID 91380773
1,2,4,5-Tetramethyl-1,4-cyclohexadiene
CID 5052860
3-tert-Butyl-2,2,4,5,5-pentamethylhex-3-ene
CID 13179780
4-Ethyl-2,3-dimethylhex-2-ene
CID 549716

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene?
The IUPAC name of 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene (CID 600937) is 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene.
What is the SMILES notation for 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene?
The canonical SMILES for 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene is CC1=C(C)C(C)(C)C(C)=C(C)C1(C)C.
What is the InChIKey of 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene?
The InChIKey is LURCSAVEJFMQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9-10(2)14(7,8)12(4)11(3)13(9,5)6/h1-8H3.
What are the key properties of 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene?
1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,5,6,6-octamethylcyclohexa-1,4-diene is sourced from PubChem (CID 600937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).