4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene

C13H16 — CID 123917217

IUPAC4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene
SMILESC=C=CC(C=C=C)C(=C=C)C(C)C
InChIInChI=1S/C13H16/c1-6-9-12(10-7-2)13(8-3)11(4)5/h9-12H,1-3H2,4-5H3
InChIKeyAXYYILVSXZOYRO-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.65
Rot. Bonds4

About 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene

4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene (PubChem CID 123917217) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene.

Molecular Properties

Compound Name4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene
PubChem CID123917217
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene
SMILESC=C=CC(C=C=C)C(=C=C)C(C)C
InChIInChI=1S/C13H16/c1-6-9-12(10-7-2)13(8-3)11(4)5/h9-12H,1-3H2,4-5H3
InChIKeyAXYYILVSXZOYRO-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene?
The IUPAC name of 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene (CID 123917217) is 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene.
What is the SMILES notation for 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene?
The canonical SMILES for 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene is C=C=CC(C=C=C)C(=C=C)C(C)C.
What is the InChIKey of 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene?
The InChIKey is AXYYILVSXZOYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-6-9-12(10-7-2)13(8-3)11(4)5/h9-12H,1-3H2,4-5H3.
What are the key properties of 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene?
4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene has a molecular weight of 172.27 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene is sourced from PubChem (CID 123917217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).