4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene

C16H24 — CID 59890757

IUPAC4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
SMILESC=CC=C(C)C(C)=C(C)C(C)=C(C)C=CC
InChIInChI=1S/C16H24/c1-8-10-12(3)14(5)16(7)15(6)13(4)11-9-2/h8-11H,1H2,2-7H3
InChIKeyBCHIGPOZLVKSBI-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.37
Rot. Bonds4

About 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene

4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene (PubChem CID 59890757) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
PubChem CID59890757
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
SMILESC=CC=C(C)C(C)=C(C)C(C)=C(C)C=CC
InChIInChI=1S/C16H24/c1-8-10-12(3)14(5)16(7)15(6)13(4)11-9-2/h8-11H,1H2,2-7H3
InChIKeyBCHIGPOZLVKSBI-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
CID 143865216
2-[(3Z,5E,7Z)-4,6-dimethylnona-1,3,5,7-tetraen-5-yl]oxyacetic acid
CID 142823734
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene?
The IUPAC name of 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene (CID 59890757) is 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene?
The canonical SMILES for 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene is C=CC=C(C)C(C)=C(C)C(C)=C(C)C=CC.
What is the InChIKey of 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene?
The InChIKey is BCHIGPOZLVKSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-8-10-12(3)14(5)16(7)15(6)13(4)11-9-2/h8-11H,1H2,2-7H3.
What are the key properties of 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene?
4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene has a molecular weight of 216.37 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 59890757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).