1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol

C12H22O3 — CID 134895566

IUPAC1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol
SMILESOC(CCCOC1CCCCO1)C1CC1
InChIInChI=1S/C12H22O3/c13-11(10-6-7-10)4-3-9-15-12-5-1-2-8-14-12/h10-13H,1-9H2
InChIKeyLJPUJJMLTCUFCO-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.08
Rot. Bonds6

About 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol

1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol (PubChem CID 134895566) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol
PubChem CID134895566
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol
SMILESOC(CCCOC1CCCCO1)C1CC1
InChIInChI=1S/C12H22O3/c13-11(10-6-7-10)4-3-9-15-12-5-1-2-8-14-12/h10-13H,1-9H2
InChIKeyLJPUJJMLTCUFCO-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol?
The IUPAC name of 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol (CID 134895566) is 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol.
What is the SMILES notation for 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol?
The canonical SMILES for 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol is OC(CCCOC1CCCCO1)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol?
The InChIKey is LJPUJJMLTCUFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c13-11(10-6-7-10)4-3-9-15-12-5-1-2-8-14-12/h10-13H,1-9H2.
What are the key properties of 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol?
1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(oxan-2-yloxy)butan-1-ol is sourced from PubChem (CID 134895566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).