4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol

C8H14O2 — CID 90805411

IUPAC4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol
SMILESOCCCCC1OC12CC2
InChIInChI=1S/C8H14O2/c9-6-2-1-3-7-8(10-7)4-5-8/h7,9H,1-6H2
InChIKeyWHRVQZFWDUTRBQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.08
Rot. Bonds4

About 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol

4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol (PubChem CID 90805411) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol
PubChem CID90805411
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol
SMILESOCCCCC1OC12CC2
InChIInChI=1S/C8H14O2/c9-6-2-1-3-7-8(10-7)4-5-8/h7,9H,1-6H2
InChIKeyWHRVQZFWDUTRBQ-UHFFFAOYSA-N
XLogP1.08
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol?
The IUPAC name of 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol (CID 90805411) is 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol.
What is the SMILES notation for 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol?
The canonical SMILES for 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol is OCCCCC1OC12CC2.
What is the InChIKey of 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol?
The InChIKey is WHRVQZFWDUTRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-2-1-3-7-8(10-7)4-5-8/h7,9H,1-6H2.
What are the key properties of 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol?
4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[2.2]pentan-2-yl)butan-1-ol is sourced from PubChem (CID 90805411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).