5-(3-propyloxetan-3-yl)pentan-1-ol

C11H22O2 — CID 68635541

IUPAC5-(3-propyloxetan-3-yl)pentan-1-ol
SMILESCCCC1(CCCCCO)COC1
InChIInChI=1S/C11H22O2/c1-2-6-11(9-13-10-11)7-4-3-5-8-12/h12H,2-10H2,1H3
InChIKeyVTDOAFFGDPBWBM-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.36
Rot. Bonds7

About 5-(3-propyloxetan-3-yl)pentan-1-ol

5-(3-propyloxetan-3-yl)pentan-1-ol (PubChem CID 68635541) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-(3-propyloxetan-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(3-propyloxetan-3-yl)pentan-1-ol
PubChem CID68635541
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-(3-propyloxetan-3-yl)pentan-1-ol
SMILESCCCC1(CCCCCO)COC1
InChIInChI=1S/C11H22O2/c1-2-6-11(9-13-10-11)7-4-3-5-8-12/h12H,2-10H2,1H3
InChIKeyVTDOAFFGDPBWBM-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.36
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 5-(3-propyloxetan-3-yl)pentan-1-ol?
The IUPAC name of 5-(3-propyloxetan-3-yl)pentan-1-ol (CID 68635541) is 5-(3-propyloxetan-3-yl)pentan-1-ol.
What is the SMILES notation for 5-(3-propyloxetan-3-yl)pentan-1-ol?
The canonical SMILES for 5-(3-propyloxetan-3-yl)pentan-1-ol is CCCC1(CCCCCO)COC1.
What is the InChIKey of 5-(3-propyloxetan-3-yl)pentan-1-ol?
The InChIKey is VTDOAFFGDPBWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-6-11(9-13-10-11)7-4-3-5-8-12/h12H,2-10H2,1H3.
What are the key properties of 5-(3-propyloxetan-3-yl)pentan-1-ol?
5-(3-propyloxetan-3-yl)pentan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propyloxetan-3-yl)pentan-1-ol is sourced from PubChem (CID 68635541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).