1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane

C17H28 — CID 167483840

IUPAC1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane
SMILESC=C/C=C\C(=C)C1(/C=C\C=C)CC1.CC.CC
InChIInChI=1S/C13H16.2C2H6/c1-4-6-8-12(3)13(10-11-13)9-7-5-2;2*1-2/h4-9H,1-3,10-11H2;2*1-2H3/b8-6-,9-7-;;
InChIKeyBZFKOBAMXRYARY-SGBPTPMJSA-N
MW232.41 g/mol
LogP5.86
Rot. Bonds5

About 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane

1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane (PubChem CID 167483840) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane
PubChem CID167483840
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane
SMILESC=C/C=C\C(=C)C1(/C=C\C=C)CC1.CC.CC
InChIInChI=1S/C13H16.2C2H6/c1-4-6-8-12(3)13(10-11-13)9-7-5-2;2*1-2/h4-9H,1-3,10-11H2;2*1-2H3/b8-6-,9-7-;;
InChIKeyBZFKOBAMXRYARY-SGBPTPMJSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.86
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 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane (CID 167483840) is 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane is C=C/C=C\C(=C)C1(/C=C\C=C)CC1.CC.CC.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane?
The InChIKey is BZFKOBAMXRYARY-SGBPTPMJSA-N. The full InChI is InChI=1S/C13H16.2C2H6/c1-4-6-8-12(3)13(10-11-13)9-7-5-2;2*1-2/h4-9H,1-3,10-11H2;2*1-2H3/b8-6-,9-7-;;.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane?
1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane has a molecular weight of 232.41 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-hexa-1,3,5-trien-2-yl]cyclopropane;ethane is sourced from PubChem (CID 167483840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).