3,4,7,9,12-pentamethyltetradeca-1,7-diene

C19H36 — CID 123181478

IUPAC3,4,7,9,12-pentamethyltetradeca-1,7-diene
SMILESC=CC(C)C(C)CCC(C)=CC(C)CCC(C)CC
InChIInChI=1S/C19H36/c1-8-15(3)10-11-16(4)14-17(5)12-13-19(7)18(6)9-2/h9,14-16,18-19H,2,8,10-13H2,1,3-7H3
InChIKeyZUMALQAMMTVVJW-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.63
Rot. Bonds10

About 3,4,7,9,12-pentamethyltetradeca-1,7-diene

3,4,7,9,12-pentamethyltetradeca-1,7-diene (PubChem CID 123181478) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 3,4,7,9,12-pentamethyltetradeca-1,7-diene.

Molecular Properties

Compound Name3,4,7,9,12-pentamethyltetradeca-1,7-diene
PubChem CID123181478
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name3,4,7,9,12-pentamethyltetradeca-1,7-diene
SMILESC=CC(C)C(C)CCC(C)=CC(C)CCC(C)CC
InChIInChI=1S/C19H36/c1-8-15(3)10-11-16(4)14-17(5)12-13-19(7)18(6)9-2/h9,14-16,18-19H,2,8,10-13H2,1,3-7H3
InChIKeyZUMALQAMMTVVJW-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.63
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

3,6,7,10-tetramethyldodec-1-ene
CID 143243689
2,7-dimethylnon-1-ene
CID 123682074
3,6,7-trimethylnon-2-ene
CID 123488713
2,3,4-trimethyl-N-(2-methylbutyl)hex-5-en-1-amine
CID 154966914
(3R,4R,5S)-3,5-dimethylhept-1-en-4-ol
CID 12703990
(E)-3,5-dimethyloct-3-ene
CID 169006712
4,7-dimethylnon-2-enal
CID 91082356
2,7-dimethylnona-2,3-diene
CID 123700198
4-ethenyl-2,3,7-trimethylnonane
CID 91411047
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162195902
(5S,8R)-8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162701561

Frequently Asked Questions

What is the IUPAC name of 3,4,7,9,12-pentamethyltetradeca-1,7-diene?
The IUPAC name of 3,4,7,9,12-pentamethyltetradeca-1,7-diene (CID 123181478) is 3,4,7,9,12-pentamethyltetradeca-1,7-diene.
What is the SMILES notation for 3,4,7,9,12-pentamethyltetradeca-1,7-diene?
The canonical SMILES for 3,4,7,9,12-pentamethyltetradeca-1,7-diene is C=CC(C)C(C)CCC(C)=CC(C)CCC(C)CC.
What is the InChIKey of 3,4,7,9,12-pentamethyltetradeca-1,7-diene?
The InChIKey is ZUMALQAMMTVVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-8-15(3)10-11-16(4)14-17(5)12-13-19(7)18(6)9-2/h9,14-16,18-19H,2,8,10-13H2,1,3-7H3.
What are the key properties of 3,4,7,9,12-pentamethyltetradeca-1,7-diene?
3,4,7,9,12-pentamethyltetradeca-1,7-diene has a molecular weight of 264.50 g/mol, XLogP of 6.63, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,9,12-pentamethyltetradeca-1,7-diene is sourced from PubChem (CID 123181478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).