2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol

C13H22O2 — CID 162415507

IUPAC2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol
SMILESC=CC1OC2(CCCC(O)C2)CCC1C
InChIInChI=1S/C13H22O2/c1-3-12-10(2)6-8-13(15-12)7-4-5-11(14)9-13/h3,10-12,14H,1,4-9H2,2H3
InChIKeyYZZLVINOHRQWMR-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.66
Rot. Bonds1

About 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol

2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol (PubChem CID 162415507) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol
PubChem CID162415507
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol
SMILESC=CC1OC2(CCCC(O)C2)CCC1C
InChIInChI=1S/C13H22O2/c1-3-12-10(2)6-8-13(15-12)7-4-5-11(14)9-13/h3,10-12,14H,1,4-9H2,2H3
InChIKeyYZZLVINOHRQWMR-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol?
The IUPAC name of 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol (CID 162415507) is 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol.
What is the SMILES notation for 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol?
The canonical SMILES for 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol is C=CC1OC2(CCCC(O)C2)CCC1C.
What is the InChIKey of 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol?
The InChIKey is YZZLVINOHRQWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-12-10(2)6-8-13(15-12)7-4-5-11(14)9-13/h3,10-12,14H,1,4-9H2,2H3.
What are the key properties of 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol?
2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol has a molecular weight of 210.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 162415507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).