3-ethyl-2,9-dimethyltetradeca-4,9-diene

C18H34 — CID 90857494

IUPAC3-ethyl-2,9-dimethyltetradeca-4,9-diene
SMILESCCCCC=C(C)CCCC=CC(CC)C(C)C
InChIInChI=1S/C18H34/c1-6-8-10-13-17(5)14-11-9-12-15-18(7-2)16(3)4/h12-13,15-16,18H,6-11,14H2,1-5H3
InChIKeyMFFMKMXGZFWNPA-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.53
Rot. Bonds10

About 3-ethyl-2,9-dimethyltetradeca-4,9-diene

3-ethyl-2,9-dimethyltetradeca-4,9-diene (PubChem CID 90857494) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 3-ethyl-2,9-dimethyltetradeca-4,9-diene.

Molecular Properties

Compound Name3-ethyl-2,9-dimethyltetradeca-4,9-diene
PubChem CID90857494
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name3-ethyl-2,9-dimethyltetradeca-4,9-diene
SMILESCCCCC=C(C)CCCC=CC(CC)C(C)C
InChIInChI=1S/C18H34/c1-6-8-10-13-17(5)14-11-9-12-15-18(7-2)16(3)4/h12-13,15-16,18H,6-11,14H2,1-5H3
InChIKeyMFFMKMXGZFWNPA-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,9-dimethyltetradeca-4,9-diene?
The IUPAC name of 3-ethyl-2,9-dimethyltetradeca-4,9-diene (CID 90857494) is 3-ethyl-2,9-dimethyltetradeca-4,9-diene.
What is the SMILES notation for 3-ethyl-2,9-dimethyltetradeca-4,9-diene?
The canonical SMILES for 3-ethyl-2,9-dimethyltetradeca-4,9-diene is CCCCC=C(C)CCCC=CC(CC)C(C)C.
What is the InChIKey of 3-ethyl-2,9-dimethyltetradeca-4,9-diene?
The InChIKey is MFFMKMXGZFWNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-6-8-10-13-17(5)14-11-9-12-15-18(7-2)16(3)4/h12-13,15-16,18H,6-11,14H2,1-5H3.
What are the key properties of 3-ethyl-2,9-dimethyltetradeca-4,9-diene?
3-ethyl-2,9-dimethyltetradeca-4,9-diene has a molecular weight of 250.47 g/mol, XLogP of 6.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,9-dimethyltetradeca-4,9-diene is sourced from PubChem (CID 90857494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).