2-but-3-en-2-yloxybicyclo[2.2.1]heptane

C11H18O — CID 70152975

IUPAC2-but-3-en-2-yloxybicyclo[2.2.1]heptane
SMILESC=CC(C)OC1CC2CCC1C2
InChIInChI=1S/C11H18O/c1-3-8(2)12-11-7-9-4-5-10(11)6-9/h3,8-11H,1,4-7H2,2H3
InChIKeyAWIQEJDEALEIIZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds3

About 2-but-3-en-2-yloxybicyclo[2.2.1]heptane

2-but-3-en-2-yloxybicyclo[2.2.1]heptane (PubChem CID 70152975) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-but-3-en-2-yloxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-but-3-en-2-yloxybicyclo[2.2.1]heptane
PubChem CID70152975
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-but-3-en-2-yloxybicyclo[2.2.1]heptane
SMILESC=CC(C)OC1CC2CCC1C2
InChIInChI=1S/C11H18O/c1-3-8(2)12-11-7-9-4-5-10(11)6-9/h3,8-11H,1,4-7H2,2H3
InChIKeyAWIQEJDEALEIIZ-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxybicyclo[2.2.2]octane
CID 58787050
(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
CID 102261355
2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
CID 99908285
N-(2-bicyclo[2.2.1]heptanyloxy)-N-methylmethanamine
CID 76852044
1-(2-bicyclo[2.2.1]heptanyloxy)propan-2-ol
CID 73302120
1-(2-bicyclo[2.2.1]heptanyl)prop-2-en-1-ol
CID 115814815
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
CID 98108160
2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-[1-(2-bicyclo[2.2.1]heptanyloxy)ethoxy]propan-2-ol
CID 143448441
[1-(2-bicyclo[2.2.1]heptanyloxy)-3-methylbutyl] 2,2-dimethylbutanoate
CID 118200316
1-[1-(2-bicyclo[2.2.1]heptanyloxy)ethyl]-3-methylbicyclo[3.3.1]nonane
CID 71135602
ethane;2-(1-methoxyethoxy)bicyclo[2.2.1]heptane;2-methyl-2-propan-2-ylpentanal
CID 144737139

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yloxybicyclo[2.2.1]heptane?
The IUPAC name of 2-but-3-en-2-yloxybicyclo[2.2.1]heptane (CID 70152975) is 2-but-3-en-2-yloxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-but-3-en-2-yloxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-but-3-en-2-yloxybicyclo[2.2.1]heptane is C=CC(C)OC1CC2CCC1C2.
What is the InChIKey of 2-but-3-en-2-yloxybicyclo[2.2.1]heptane?
The InChIKey is AWIQEJDEALEIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-8(2)12-11-7-9-4-5-10(11)6-9/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 2-but-3-en-2-yloxybicyclo[2.2.1]heptane?
2-but-3-en-2-yloxybicyclo[2.2.1]heptane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxybicyclo[2.2.1]heptane is sourced from PubChem (CID 70152975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).