1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene

C15H18 — CID 144789889

IUPAC1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC=C/C=C\C1=C(C)C(C)=C(/C=C\C)C1=C
InChIInChI=1S/C15H18/c1-6-8-10-15-12(4)11(3)14(9-7-2)13(15)5/h6-10H,1,5H2,2-4H3/b9-7-,10-8-
InChIKeyIRJRLDMGAUNJBX-XOHWUJONSA-N
MW198.31 g/mol
LogP4.51
Rot. Bonds3

About 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene

1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene (PubChem CID 144789889) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
PubChem CID144789889
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC=C/C=C\C1=C(C)C(C)=C(/C=C\C)C1=C
InChIInChI=1S/C15H18/c1-6-8-10-15-12(4)11(3)14(9-7-2)13(15)5/h6-10H,1,5H2,2-4H3/b9-7-,10-8-
InChIKeyIRJRLDMGAUNJBX-XOHWUJONSA-N
XLogP4.51
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 ≤ 54.51
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-[(1Z)-buta-1,3-dienyl]-3-ethynyl-2-methyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 144521028
4-[2,6-bis(ethenyl)-3,5-bis[(Z)-prop-1-enyl]pyran-4-ylidene]-3-[(1Z)-buta-1,3-dienyl]-2,6-dimethyl-5-[(Z)-prop-1-enyl]pyran
CID 167166643
2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohexa-2,5-diene-1,4-dione
CID 146361044
6-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3,7-trimethyl-5-[(Z)-prop-1-enyl]-3H-azepin-2-one;ethane
CID 142050554
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
(3E)-penta-1,3-diene
CID 71777643
ethane;3-ethenyl-2-methyl-1-[(3Z,5Z)-2-methylhepta-1,3,5-trien-3-yl]-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 143620405
3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]thiophene
CID 135215565
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
CID 166734172
(5E,6E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5,6-di(ethylidene)cyclohex-2-ene-1,4-dione
CID 131990748
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene (CID 144789889) is 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene is C=C/C=C\C1=C(C)C(C)=C(/C=C\C)C1=C.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The InChIKey is IRJRLDMGAUNJBX-XOHWUJONSA-N. The full InChI is InChI=1S/C15H18/c1-6-8-10-15-12(4)11(3)14(9-7-2)13(15)5/h6-10H,1,5H2,2-4H3/b9-7-,10-8-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 4.51, 3 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]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 144789889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).