2,6-dimethyltetradeca-2,6-diene

C16H30 — CID 57189781

IUPAC2,6-dimethyltetradeca-2,6-diene
SMILESCCCCCCCC=C(C)CCC=C(C)C
InChIInChI=1S/C16H30/c1-5-6-7-8-9-10-13-16(4)14-11-12-15(2)3/h12-13H,5-11,14H2,1-4H3
InChIKeyHFWYLDZFMRFCAM-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.04
Rot. Bonds9

About 2,6-dimethyltetradeca-2,6-diene

2,6-dimethyltetradeca-2,6-diene (PubChem CID 57189781) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2,6-dimethyltetradeca-2,6-diene.

Molecular Properties

Compound Name2,6-dimethyltetradeca-2,6-diene
PubChem CID57189781
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2,6-dimethyltetradeca-2,6-diene
SMILESCCCCCCCC=C(C)CCC=C(C)C
InChIInChI=1S/C16H30/c1-5-6-7-8-9-10-13-16(4)14-11-12-15(2)3/h12-13H,5-11,14H2,1-4H3
InChIKeyHFWYLDZFMRFCAM-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.04
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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Related Compounds

2-methyldec-2-ene;(E)-3-methyloct-3-ene
CID 158273122
(E)-9-methylnonadec-9-ene
CID 14783585
4-methylhexadec-4-ene
CID 174447790
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(6E,10E)-2,6,10-trimethylnonacosa-2,6,10-trien-14-one
CID 11442518
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyltetradeca-2,6-diene?
The IUPAC name of 2,6-dimethyltetradeca-2,6-diene (CID 57189781) is 2,6-dimethyltetradeca-2,6-diene.
What is the SMILES notation for 2,6-dimethyltetradeca-2,6-diene?
The canonical SMILES for 2,6-dimethyltetradeca-2,6-diene is CCCCCCCC=C(C)CCC=C(C)C.
What is the InChIKey of 2,6-dimethyltetradeca-2,6-diene?
The InChIKey is HFWYLDZFMRFCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-5-6-7-8-9-10-13-16(4)14-11-12-15(2)3/h12-13H,5-11,14H2,1-4H3.
What are the key properties of 2,6-dimethyltetradeca-2,6-diene?
2,6-dimethyltetradeca-2,6-diene has a molecular weight of 222.42 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyltetradeca-2,6-diene is sourced from PubChem (CID 57189781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).