3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane

C11H16 — CID 163960686

IUPAC3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
SMILESC=C(C)C1CCC23CC2(C1)C3
InChIInChI=1S/C11H16/c1-8(2)9-3-4-10-6-11(10,5-9)7-10/h9H,1,3-7H2,2H3
InChIKeySHDKUSMLLFFFPH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.14
Rot. Bonds1

About 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane

3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane (PubChem CID 163960686) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane.

Molecular Properties

Compound Name3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
PubChem CID163960686
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
SMILESC=C(C)C1CCC23CC2(C1)C3
InChIInChI=1S/C11H16/c1-8(2)9-3-4-10-6-11(10,5-9)7-10/h9H,1,3-7H2,2H3
InChIKeySHDKUSMLLFFFPH-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.14
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 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane?
The IUPAC name of 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane (CID 163960686) is 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane.
What is the SMILES notation for 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane?
The canonical SMILES for 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane is C=C(C)C1CCC23CC2(C1)C3.
What is the InChIKey of 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane?
The InChIKey is SHDKUSMLLFFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8(2)9-3-4-10-6-11(10,5-9)7-10/h9H,1,3-7H2,2H3.
What are the key properties of 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane?
3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane has a molecular weight of 148.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane is sourced from PubChem (CID 163960686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).