3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene

C13H20O — CID 134992926

IUPAC3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene
SMILESC=CCC1=CC2(CCCCCC2)OC1
InChIInChI=1S/C13H20O/c1-2-7-12-10-13(14-11-12)8-5-3-4-6-9-13/h2,10H,1,3-9,11H2
InChIKeyCWVLNXMIGMBKDK-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.61
Rot. Bonds2

About 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene

3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene (PubChem CID 134992926) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene.

Molecular Properties

Compound Name3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene
PubChem CID134992926
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene
SMILESC=CCC1=CC2(CCCCCC2)OC1
InChIInChI=1S/C13H20O/c1-2-7-12-10-13(14-11-12)8-5-3-4-6-9-13/h2,10H,1,3-9,11H2
InChIKeyCWVLNXMIGMBKDK-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.61
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

(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888684
(2S,5S)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888683
(7S)-3,7-dimethyl-7-[(1S)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
CID 162996031
(7R)-3,7-dimethyl-7-[(1R)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
CID 162996033
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-Oxaspiro(5.6)dodec-3-ene
CID 10899061
4-butyl-5,5-dimethyl-3-prop-2-enyl-2H-furan
CID 102371046
1-Oxaspiro[4.5]dec-6-ene
CID 13087819
2,2-Dibutyl-2,5-dihydrofuran
CID 57702318
5-(1,5-Dimethyl-1,4-hexadienyl)-tetrahydro-2-methyl-2-vinylfuran
CID 20526423
2-Ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane
CID 20526426
5-ethenyl-5-octyl-2H-furan
CID 9794304

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene?
The IUPAC name of 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene (CID 134992926) is 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene.
What is the SMILES notation for 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene?
The canonical SMILES for 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene is C=CCC1=CC2(CCCCCC2)OC1.
What is the InChIKey of 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene?
The InChIKey is CWVLNXMIGMBKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-7-12-10-13(14-11-12)8-5-3-4-6-9-13/h2,10H,1,3-9,11H2.
What are the key properties of 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene?
3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene has a molecular weight of 192.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1-oxaspiro[4.6]undec-3-ene is sourced from PubChem (CID 134992926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).