8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane

C13H22O2 — CID 162415276

IUPAC8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
SMILESC/C=C/C1CCCC2(CCCC(C)O2)O1
InChIInChI=1S/C13H22O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h3,6,11-12H,4-5,7-10H2,1-2H3/b6-3+
InChIKeyUXQDCHUSFBXJNP-ZZXKWVIFSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds1

About 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane

8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane (PubChem CID 162415276) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
PubChem CID162415276
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
SMILESC/C=C/C1CCCC2(CCCC(C)O2)O1
InChIInChI=1S/C13H22O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h3,6,11-12H,4-5,7-10H2,1-2H3/b6-3+
InChIKeyUXQDCHUSFBXJNP-ZZXKWVIFSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,7-Dioxaspiro[5.5]undec-4-ene
CID 565984
1,7-Dioxaspiro[5.5]undec-3-ene
CID 10103357
(6R)-1,7-dioxaspiro[5.5]undec-4-ene
CID 13841635
2,8-Bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 134858588
(2R,6R)-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 134958873
(8R,10R)-10-ethenyl-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134968346
2-Ethenyl-1,7-dioxaspiro[5.5]undecane
CID 154714568
(4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415278
(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415279
2-Methyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832114

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane (CID 162415276) is 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane is C/C=C/C1CCCC2(CCCC(C)O2)O1.
What is the InChIKey of 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane?
The InChIKey is UXQDCHUSFBXJNP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h3,6,11-12H,4-5,7-10H2,1-2H3/b6-3+.
What are the key properties of 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane?
8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 162415276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).