3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene

C16H24 — CID 123823855

IUPAC3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene
SMILESC=C(C=CC=CCC)C(C)C=CC(C)=CC
InChIInChI=1S/C16H24/c1-6-8-9-10-11-15(4)16(5)13-12-14(3)7-2/h7-13,16H,4,6H2,1-3,5H3
InChIKeySWKOBUMBFRMWRX-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.22
Rot. Bonds6

About 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene

3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene (PubChem CID 123823855) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene.

Molecular Properties

Compound Name3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene
PubChem CID123823855
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene
SMILESC=C(C=CC=CCC)C(C)C=CC(C)=CC
InChIInChI=1S/C16H24/c1-6-8-9-10-11-15(4)16(5)13-12-14(3)7-2/h7-13,16H,4,6H2,1-3,5H3
InChIKeySWKOBUMBFRMWRX-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene?
The IUPAC name of 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene (CID 123823855) is 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene.
What is the SMILES notation for 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene?
The canonical SMILES for 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene is C=C(C=CC=CCC)C(C)C=CC(C)=CC.
What is the InChIKey of 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene?
The InChIKey is SWKOBUMBFRMWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-6-8-9-10-11-15(4)16(5)13-12-14(3)7-2/h7-13,16H,4,6H2,1-3,5H3.
What are the key properties of 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene?
3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene has a molecular weight of 216.37 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene is sourced from PubChem (CID 123823855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).