8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol

C13H22O2 — CID 21133265

IUPAC8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol
SMILESCC(C)COC1=CC(O)CC2(CCC2)C1
InChIInChI=1S/C13H22O2/c1-10(2)9-15-12-6-11(14)7-13(8-12)4-3-5-13/h6,10-11,14H,3-5,7-9H2,1-2H3
InChIKeyWCVPWLFUDSWTMY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.87
Rot. Bonds3

About 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol

8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol (PubChem CID 21133265) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol.

Molecular Properties

Compound Name8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol
PubChem CID21133265
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol
SMILESCC(C)COC1=CC(O)CC2(CCC2)C1
InChIInChI=1S/C13H22O2/c1-10(2)9-15-12-6-11(14)7-13(8-12)4-3-5-13/h6,10-11,14H,3-5,7-9H2,1-2H3
InChIKeyWCVPWLFUDSWTMY-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol?
The IUPAC name of 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol (CID 21133265) is 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol.
What is the SMILES notation for 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol?
The canonical SMILES for 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol is CC(C)COC1=CC(O)CC2(CCC2)C1.
What is the InChIKey of 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol?
The InChIKey is WCVPWLFUDSWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)9-15-12-6-11(14)7-13(8-12)4-3-5-13/h6,10-11,14H,3-5,7-9H2,1-2H3.
What are the key properties of 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol?
8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol has a molecular weight of 210.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropoxy)spiro[3.5]non-7-en-6-ol is sourced from PubChem (CID 21133265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).