2-butoxyspiro[3.5]nonan-7-ol

C13H24O2 — CID 118288552

IUPAC2-butoxyspiro[3.5]nonan-7-ol
SMILESCCCCOC1CC2(CCC(O)CC2)C1
InChIInChI=1S/C13H24O2/c1-2-3-8-15-12-9-13(10-12)6-4-11(14)5-7-13/h11-12,14H,2-10H2,1H3
InChIKeySQELRSWKBOZLSS-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.89
Rot. Bonds4

About 2-butoxyspiro[3.5]nonan-7-ol

2-butoxyspiro[3.5]nonan-7-ol (PubChem CID 118288552) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-butoxyspiro[3.5]nonan-7-ol.

Molecular Properties

Compound Name2-butoxyspiro[3.5]nonan-7-ol
PubChem CID118288552
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-butoxyspiro[3.5]nonan-7-ol
SMILESCCCCOC1CC2(CCC(O)CC2)C1
InChIInChI=1S/C13H24O2/c1-2-3-8-15-12-9-13(10-12)6-4-11(14)5-7-13/h11-12,14H,2-10H2,1H3
InChIKeySQELRSWKBOZLSS-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxyspiro[3.5]nonan-7-ol?
The IUPAC name of 2-butoxyspiro[3.5]nonan-7-ol (CID 118288552) is 2-butoxyspiro[3.5]nonan-7-ol.
What is the SMILES notation for 2-butoxyspiro[3.5]nonan-7-ol?
The canonical SMILES for 2-butoxyspiro[3.5]nonan-7-ol is CCCCOC1CC2(CCC(O)CC2)C1.
What is the InChIKey of 2-butoxyspiro[3.5]nonan-7-ol?
The InChIKey is SQELRSWKBOZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-8-15-12-9-13(10-12)6-4-11(14)5-7-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-butoxyspiro[3.5]nonan-7-ol?
2-butoxyspiro[3.5]nonan-7-ol has a molecular weight of 212.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyspiro[3.5]nonan-7-ol is sourced from PubChem (CID 118288552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).