3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene

C25H48 — CID 162304109

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene
SMILESC=CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C=C
InChIInChI=1S/C25H48/c1-17-19(3,4)21(7,8)23(11,12)25(15,16)24(13,14)22(9,10)20(5,6)18-2/h17-18H,1-2H2,3-16H3
InChIKeyARYJFZHZVHBBLJ-UHFFFAOYSA-N
MW348.66 g/mol
LogP8.54
Rot. Bonds8

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene

3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene (PubChem CID 162304109) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene
PubChem CID162304109
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene
SMILESC=CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C=C
InChIInChI=1S/C25H48/c1-17-19(3,4)21(7,8)23(11,12)25(15,16)24(13,14)22(9,10)20(5,6)18-2/h17-18H,1-2H2,3-16H3
InChIKeyARYJFZHZVHBBLJ-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene with MolForge

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Related Compounds

2,3,3-trimethylpent-4-en-2-ylsilane
CID 175326374
3,3,4,4,5-pentamethylhex-1-ene
CID 23384855
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
2,3,3-trimethyl-N-phosphanylpent-4-en-2-amine
CID 142059806
3-methanidyl-3-methylbut-1-ene
CID 91253785
3-methylpenta-1,4-dien-3-yloxysilane
CID 123747545
3,3-difluoro-4,4-dimethylhex-5-en-2-one
CID 11084183
2-ethyl-2,3,3-trimethylpent-4-enal
CID 145209008
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
3-methylhexa-1,5-diene-3-thiol
CID 123943954
3-methylhexa-1,5-dien-3-olate
CID 101095680

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene (CID 162304109) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene is C=CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C=C.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene?
The InChIKey is ARYJFZHZVHBBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-17-19(3,4)21(7,8)23(11,12)25(15,16)24(13,14)22(9,10)20(5,6)18-2/h17-18H,1-2H2,3-16H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene?
3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene has a molecular weight of 348.66 g/mol, XLogP of 8.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene is sourced from PubChem (CID 162304109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).