8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-

C10H16O — CID 175364

IUPAC6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane
SMILESCC(=C)C1CC2CCCC1O2
InChIInChI=1S/C10H16O/c1-7(2)9-6-8-4-3-5-10(9)11-8/h8-10H,1,3-6H2,2H3
InChIKeyHSVRBYQDQWOTEJ-UHFFFAOYSA-N
MW152.23 g/mol
LogP2.70
Rot. Bonds1

About 8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-

8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)- (PubChem CID 175364) has the molecular formula C10H16O and a molecular weight of 152.23 g/mol. Its IUPAC name is 6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-
PubChem CID175364
Molecular FormulaC10H16O
Molecular Weight152.23 g/mol
Exact Mass152.12
IUPAC Name6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane
SMILESCC(=C)C1CC2CCCC1O2
InChIInChI=1S/C10H16O/c1-7(2)9-6-8-4-3-5-10(9)11-8/h8-10H,1,3-6H2,2H3
InChIKeyHSVRBYQDQWOTEJ-UHFFFAOYSA-N
XLogP2.70
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity174

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.23
LogP ≤ 52.70
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

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CID 108399
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4-Methylidene-2-propan-2-yloxane
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4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
W66K9Csq4Z
CID 92278448
2-Cyclohexyl-4-methylideneoxepane
CID 101903589
4-Methylidene-2-(2-methylpropyl)oxepane
CID 101903590
7-Ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
CID 102173210
(2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane
CID 135037604
(2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane
CID 135037631
2,5-Dibutyl-3-ethenyloxolane
CID 170458430
3-Methyl-4-methylidene-2-pentyloxolane
CID 176427701

Frequently Asked Questions

What is the IUPAC name of 8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-?
The IUPAC name of 8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)- (CID 175364) is 6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-?
The canonical SMILES for 8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)- is CC(=C)C1CC2CCCC1O2.
What is the InChIKey of 8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-?
The InChIKey is HSVRBYQDQWOTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)9-6-8-4-3-5-10(9)11-8/h8-10H,1,3-6H2,2H3.
What are the key properties of 8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-?
8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)- has a molecular weight of 152.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)- is sourced from PubChem (CID 175364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).