1,2-dioctylcyclopropene

C19H36 — CID 556893

IUPAC1,2-dioctylcyclopropene
SMILESCCCCCCCCC1=C(CCCCCCCC)C1
InChIInChI=1S/C19H36/c1-3-5-7-9-11-13-15-18-17-19(18)16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeyYDYRZYFCIFBMMN-UHFFFAOYSA-N
MW264.50 g/mol
LogP7.19
Rot. Bonds14

About 1,2-dioctylcyclopropene

1,2-dioctylcyclopropene (PubChem CID 556893) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1,2-dioctylcyclopropene.

Molecular Properties

Compound Name1,2-dioctylcyclopropene
PubChem CID556893
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1,2-dioctylcyclopropene
SMILESCCCCCCCCC1=C(CCCCCCCC)C1
InChIInChI=1S/C19H36/c1-3-5-7-9-11-13-15-18-17-19(18)16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeyYDYRZYFCIFBMMN-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dioctylcyclopropene?
The IUPAC name of 1,2-dioctylcyclopropene (CID 556893) is 1,2-dioctylcyclopropene.
What is the SMILES notation for 1,2-dioctylcyclopropene?
The canonical SMILES for 1,2-dioctylcyclopropene is CCCCCCCCC1=C(CCCCCCCC)C1.
What is the InChIKey of 1,2-dioctylcyclopropene?
The InChIKey is YDYRZYFCIFBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-3-5-7-9-11-13-15-18-17-19(18)16-14-12-10-8-6-4-2/h3-17H2,1-2H3.
What are the key properties of 1,2-dioctylcyclopropene?
1,2-dioctylcyclopropene has a molecular weight of 264.50 g/mol, XLogP of 7.19, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioctylcyclopropene is sourced from PubChem (CID 556893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).