1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane

C14H24 — CID 143346780

IUPAC1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane
SMILESC=C(C)C12CCC(C(C)C)(CC1)CC2
InChIInChI=1S/C14H24/c1-11(2)13-5-8-14(9-6-13,10-7-13)12(3)4/h12H,1,5-10H2,2-4H3
InChIKeySFBWBNAHPURZBH-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds2

About 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane

1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane (PubChem CID 143346780) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane
PubChem CID143346780
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane
SMILESC=C(C)C12CCC(C(C)C)(CC1)CC2
InChIInChI=1S/C14H24/c1-11(2)13-5-8-14(9-6-13,10-7-13)12(3)4/h12H,1,5-10H2,2-4H3
InChIKeySFBWBNAHPURZBH-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.56
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 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane?
The IUPAC name of 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane (CID 143346780) is 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane?
The canonical SMILES for 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane is C=C(C)C12CCC(C(C)C)(CC1)CC2.
What is the InChIKey of 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane?
The InChIKey is SFBWBNAHPURZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-11(2)13-5-8-14(9-6-13,10-7-13)12(3)4/h12H,1,5-10H2,2-4H3.
What are the key properties of 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane?
1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane has a molecular weight of 192.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane is sourced from PubChem (CID 143346780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).