1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene

C15H24 — CID 143157763

IUPAC1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene
SMILESC=CC.C=CC(=C)C1=CC=CCC1.CC
InChIInChI=1S/C10H12.C3H6.C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;1-2/h3-5,7H,1-2,6,8H2;3H,1H2,2H3;1-2H3
InChIKeyPXFBJPVBCBALAP-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.22
Rot. Bonds2

About 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene

1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene (PubChem CID 143157763) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene.

Molecular Properties

Compound Name1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene
PubChem CID143157763
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene
SMILESC=CC.C=CC(=C)C1=CC=CCC1.CC
InChIInChI=1S/C10H12.C3H6.C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;1-2/h3-5,7H,1-2,6,8H2;3H,1H2,2H3;1-2H3
InChIKeyPXFBJPVBCBALAP-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.22
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-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene?
The IUPAC name of 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene (CID 143157763) is 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene.
What is the SMILES notation for 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene?
The canonical SMILES for 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene is C=CC.C=CC(=C)C1=CC=CCC1.CC.
What is the InChIKey of 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene?
The InChIKey is PXFBJPVBCBALAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C3H6.C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;1-2/h3-5,7H,1-2,6,8H2;3H,1H2,2H3;1-2H3.
What are the key properties of 1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene?
1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethane;prop-1-ene has a molecular weight of 204.36 g/mol, XLogP of 5.22, 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;ethane;prop-1-ene is sourced from PubChem (CID 143157763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).