buta-1,3-dienylidenecyclopentadecane

C19H32 — CID 12980303

IUPACbuta-1,3-dienylidenecyclopentadecane
SMILESC=CC=C=C1CCCCCCCCCCCCCC1
InChIInChI=1S/C19H32/c1-2-3-16-19-17-14-12-10-8-6-4-5-7-9-11-13-15-18-19/h2-3H,1,4-15,17-18H2
InChIKeyZGWGKOCQIJCRJQ-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.73
Rot. Bonds1

About buta-1,3-dienylidenecyclopentadecane

buta-1,3-dienylidenecyclopentadecane (PubChem CID 12980303) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is buta-1,3-dienylidenecyclopentadecane.

Molecular Properties

Compound Namebuta-1,3-dienylidenecyclopentadecane
PubChem CID12980303
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Namebuta-1,3-dienylidenecyclopentadecane
SMILESC=CC=C=C1CCCCCCCCCCCCCC1
InChIInChI=1S/C19H32/c1-2-3-16-19-17-14-12-10-8-6-4-5-7-9-11-13-15-18-19/h2-3H,1,4-15,17-18H2
InChIKeyZGWGKOCQIJCRJQ-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.73
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 buta-1,3-dienylidenecyclopentadecane?
The IUPAC name of buta-1,3-dienylidenecyclopentadecane (CID 12980303) is buta-1,3-dienylidenecyclopentadecane.
What is the SMILES notation for buta-1,3-dienylidenecyclopentadecane?
The canonical SMILES for buta-1,3-dienylidenecyclopentadecane is C=CC=C=C1CCCCCCCCCCCCCC1.
What is the InChIKey of buta-1,3-dienylidenecyclopentadecane?
The InChIKey is ZGWGKOCQIJCRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-2-3-16-19-17-14-12-10-8-6-4-5-7-9-11-13-15-18-19/h2-3H,1,4-15,17-18H2.
What are the key properties of buta-1,3-dienylidenecyclopentadecane?
buta-1,3-dienylidenecyclopentadecane has a molecular weight of 260.46 g/mol, XLogP of 6.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienylidenecyclopentadecane is sourced from PubChem (CID 12980303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).