1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane

C11H18O — CID 71369512

IUPAC1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane
SMILESC=C(C)C1CCC2(C)CCC1O2
InChIInChI=1S/C11H18O/c1-8(2)9-4-6-11(3)7-5-10(9)12-11/h9-10H,1,4-7H2,2-3H3
InChIKeyJWAUMKSUTAZSFW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds1

About 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane

1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane (PubChem CID 71369512) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane
PubChem CID71369512
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane
SMILESC=C(C)C1CCC2(C)CCC1O2
InChIInChI=1S/C11H18O/c1-8(2)9-4-6-11(3)7-5-10(9)12-11/h9-10H,1,4-7H2,2-3H3
InChIKeyJWAUMKSUTAZSFW-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane (CID 71369512) is 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane is C=C(C)C1CCC2(C)CCC1O2.
What is the InChIKey of 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane?
The InChIKey is JWAUMKSUTAZSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)9-4-6-11(3)7-5-10(9)12-11/h9-10H,1,4-7H2,2-3H3.
What are the key properties of 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane?
1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane has a molecular weight of 166.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 71369512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).