methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane

C15H28 — CID 144517685

IUPACmethane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane
SMILESC.CC=CC(C)C1C=CC=CC1.CCC
InChIInChI=1S/C11H16.C3H8.CH4/c1-3-7-10(2)11-8-5-4-6-9-11;1-3-2;/h3-8,10-11H,9H2,1-2H3;3H2,1-2H3;1H4
InChIKeyPNAAPCQYSYBTEA-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.38
Rot. Bonds2

About methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane

methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane (PubChem CID 144517685) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane.

Molecular Properties

Compound Namemethane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane
PubChem CID144517685
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Namemethane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane
SMILESC.CC=CC(C)C1C=CC=CC1.CCC
InChIInChI=1S/C11H16.C3H8.CH4/c1-3-7-10(2)11-8-5-4-6-9-11;1-3-2;/h3-8,10-11H,9H2,1-2H3;3H2,1-2H3;1H4
InChIKeyPNAAPCQYSYBTEA-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane?
The IUPAC name of methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane (CID 144517685) is methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane.
What is the SMILES notation for methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane?
The canonical SMILES for methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane is C.CC=CC(C)C1C=CC=CC1.CCC.
What is the InChIKey of methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane?
The InChIKey is PNAAPCQYSYBTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C3H8.CH4/c1-3-7-10(2)11-8-5-4-6-9-11;1-3-2;/h3-8,10-11H,9H2,1-2H3;3H2,1-2H3;1H4.
What are the key properties of methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane?
methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane has a molecular weight of 208.39 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane is sourced from PubChem (CID 144517685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).