1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene

C15H20 — CID 174111808

IUPAC1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene
SMILESC=C(/C=C\C)/C=C\C1=C(C/C=C\C)CC1
InChIInChI=1S/C15H20/c1-4-6-8-14-11-12-15(14)10-9-13(3)7-5-2/h4-7,9-10H,3,8,11-12H2,1-2H3/b6-4-,7-5-,10-9-
InChIKeyZLXDNRUUJGICBS-VFTRMDIHSA-N
MW200.32 g/mol
LogP4.73
Rot. Bonds5

About 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene

1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene (PubChem CID 174111808) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene
PubChem CID174111808
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene
SMILESC=C(/C=C\C)/C=C\C1=C(C/C=C\C)CC1
InChIInChI=1S/C15H20/c1-4-6-8-14-11-12-15(14)10-9-13(3)7-5-2/h4-7,9-10H,3,8,11-12H2,1-2H3/b6-4-,7-5-,10-9-
InChIKeyZLXDNRUUJGICBS-VFTRMDIHSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene?
The IUPAC name of 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene (CID 174111808) is 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene?
The canonical SMILES for 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene is C=C(/C=C\C)/C=C\C1=C(C/C=C\C)CC1.
What is the InChIKey of 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene?
The InChIKey is ZLXDNRUUJGICBS-VFTRMDIHSA-N. The full InChI is InChI=1S/C15H20/c1-4-6-8-14-11-12-15(14)10-9-13(3)7-5-2/h4-7,9-10H,3,8,11-12H2,1-2H3/b6-4-,7-5-,10-9-.
What are the key properties of 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene?
1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene has a molecular weight of 200.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-2-[(1Z,4Z)-3-methylidenehexa-1,4-dienyl]cyclobutene is sourced from PubChem (CID 174111808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).