1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane

C13H20 — CID 156747017

IUPAC1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane
SMILESC.C=C.C=CC(=C)C1=CC=CCC1
InChIInChI=1S/C10H12.C2H4.CH4/c1-3-9(2)10-7-5-4-6-8-10;1-2;/h3-5,7H,1-2,6,8H2;1-2H2;1H4
InChIKeyFCNUMWGADBZYMT-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.44
Rot. Bonds2

About 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane

1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane (PubChem CID 156747017) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane.

Molecular Properties

Compound Name1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane
PubChem CID156747017
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane
SMILESC.C=C.C=CC(=C)C1=CC=CCC1
InChIInChI=1S/C10H12.C2H4.CH4/c1-3-9(2)10-7-5-4-6-8-10;1-2;/h3-5,7H,1-2,6,8H2;1-2H2;1H4
InChIKeyFCNUMWGADBZYMT-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.44
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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Related Compounds

1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene
CID 143157763
(1Z)-3-cyclohexa-1,3-dien-1-yl-1-iodobuta-1,3-dien-1-amine
CID 166738369
1-[(3Z)-5-cyclobuta-1,2,3-trien-1-ylhexa-1,3,5-trien-2-yl]cyclohexa-1,3-diene
CID 143388576
CID 163262165
CID 163262165
1-[(3E)-hepta-1,3-dien-4-yl]cyclohexa-1,3-diene
CID 142474101
3-[(3E,7Z,11Z)-13-cyclohexa-1,3-dien-1-yl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-3-yl]bicyclo[3.1.0]hexa-1,3-diene;ethane
CID 143388581
cyclohexa-1,3-diene-1-carboxylic acid;iron;hydrochloride
CID 67301539
(2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine
CID 142504385
2-[(3E)-2-cyclohexa-1,3-dien-1-ylhexa-1,3,5-trien-3-yl]oxyacetaldehyde
CID 143832928
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
amino cyclohexa-1,3-diene-1-carboxylate
CID 163575650

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane?
The IUPAC name of 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane (CID 156747017) is 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane.
What is the SMILES notation for 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane?
The canonical SMILES for 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane is C.C=C.C=CC(=C)C1=CC=CCC1.
What is the InChIKey of 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane?
The InChIKey is FCNUMWGADBZYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H4.CH4/c1-3-9(2)10-7-5-4-6-8-10;1-2;/h3-5,7H,1-2,6,8H2;1-2H2;1H4.
What are the key properties of 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane?
1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane has a molecular weight of 176.30 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane is sourced from PubChem (CID 156747017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).