1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene

C15H18 — CID 163882415

IUPAC1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene
SMILESC/C=C(\C=C(\C)C1=CC=CC1)C1=CCC1
InChIInChI=1S/C15H18/c1-3-13(15-9-6-10-15)11-12(2)14-7-4-5-8-14/h3-5,7,9,11H,6,8,10H2,1-2H3/b12-11-,13-3+
InChIKeyPUJUKDKYQPSQCD-CBYPMSROSA-N
MW198.31 g/mol
LogP4.49
Rot. Bonds3

About 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene

1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene (PubChem CID 163882415) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene
PubChem CID163882415
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene
SMILESC/C=C(\C=C(\C)C1=CC=CC1)C1=CCC1
InChIInChI=1S/C15H18/c1-3-13(15-9-6-10-15)11-12(2)14-7-4-5-8-14/h3-5,7,9,11H,6,8,10H2,1-2H3/b12-11-,13-3+
InChIKeyPUJUKDKYQPSQCD-CBYPMSROSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene
CID 143157763
1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene
CID 143759676
CID 101340631
CID 101340631
2,3-di(cyclopenta-1,3-dien-1-yl)but-2-enoic acid
CID 54527252
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine
CID 155072944
carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol
CID 143762691
[4-[4-[6-[(2E,4E)-5-cyclohepta-1,3,5-trien-1-ylhexa-2,4-dien-3-yl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]boronic acid
CID 174027986
5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene
CID 174409389

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene?
The IUPAC name of 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene (CID 163882415) is 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene.
What is the SMILES notation for 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene?
The canonical SMILES for 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene is C/C=C(\C=C(\C)C1=CC=CC1)C1=CCC1.
What is the InChIKey of 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene?
The InChIKey is PUJUKDKYQPSQCD-CBYPMSROSA-N. The full InChI is InChI=1S/C15H18/c1-3-13(15-9-6-10-15)11-12(2)14-7-4-5-8-14/h3-5,7,9,11H,6,8,10H2,1-2H3/b12-11-,13-3+.
What are the key properties of 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene?
1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene is sourced from PubChem (CID 163882415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).