3-cyclopropyloxypropan-1-ol

C6H12O2 — CID 66696145

IUPAC3-cyclopropyloxypropan-1-ol
SMILESOCCCOC1CC1
InChIInChI=1S/C6H12O2/c7-4-1-5-8-6-2-3-6/h6-7H,1-5H2
InChIKeyUCBICUVEDRHXHY-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds4

About 3-cyclopropyloxypropan-1-ol

3-cyclopropyloxypropan-1-ol (PubChem CID 66696145) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-cyclopropyloxypropan-1-ol.

Molecular Properties

Compound Name3-cyclopropyloxypropan-1-ol
PubChem CID66696145
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-cyclopropyloxypropan-1-ol
SMILESOCCCOC1CC1
InChIInChI=1S/C6H12O2/c7-4-1-5-8-6-2-3-6/h6-7H,1-5H2
InChIKeyUCBICUVEDRHXHY-UHFFFAOYSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
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 3-cyclopropyloxypropan-1-ol?
The IUPAC name of 3-cyclopropyloxypropan-1-ol (CID 66696145) is 3-cyclopropyloxypropan-1-ol.
What is the SMILES notation for 3-cyclopropyloxypropan-1-ol?
The canonical SMILES for 3-cyclopropyloxypropan-1-ol is OCCCOC1CC1.
What is the InChIKey of 3-cyclopropyloxypropan-1-ol?
The InChIKey is UCBICUVEDRHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c7-4-1-5-8-6-2-3-6/h6-7H,1-5H2.
What are the key properties of 3-cyclopropyloxypropan-1-ol?
3-cyclopropyloxypropan-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxypropan-1-ol is sourced from PubChem (CID 66696145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).