5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol

C13H22O2 — CID 66600050

IUPAC5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol
SMILESCC1=CC(C)C2(CC1)C(C)CCOC2O
InChIInChI=1S/C13H22O2/c1-9-4-6-13(11(3)8-9)10(2)5-7-15-12(13)14/h8,10-12,14H,4-7H2,1-3H3
InChIKeyMWKIOWMWRKJHKS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.72
Rot. Bonds

About 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol

5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol (PubChem CID 66600050) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol.

Molecular Properties

Compound Name5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol
PubChem CID66600050
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol
SMILESCC1=CC(C)C2(CC1)C(C)CCOC2O
InChIInChI=1S/C13H22O2/c1-9-4-6-13(11(3)8-9)10(2)5-7-15-12(13)14/h8,10-12,14H,4-7H2,1-3H3
InChIKeyMWKIOWMWRKJHKS-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.72
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 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol?
The IUPAC name of 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol (CID 66600050) is 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol.
What is the SMILES notation for 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol?
The canonical SMILES for 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol is CC1=CC(C)C2(CC1)C(C)CCOC2O.
What is the InChIKey of 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol?
The InChIKey is MWKIOWMWRKJHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-4-6-13(11(3)8-9)10(2)5-7-15-12(13)14/h8,10-12,14H,4-7H2,1-3H3.
What are the key properties of 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol?
5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-en-1-ol is sourced from PubChem (CID 66600050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).