[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol

C17H30O3 — CID 54021530

IUPAC[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol
SMILESOCC1(CCCCCCOC2CCCCO2)CC=CC1
InChIInChI=1S/C17H30O3/c18-15-17(11-5-6-12-17)10-4-1-2-7-13-19-16-9-3-8-14-20-16/h5-6,16,18H,1-4,7-15H2
InChIKeyKZGFIRMEAATRAZ-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.81
Rot. Bonds9

About [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol

[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol (PubChem CID 54021530) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol
PubChem CID54021530
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol
SMILESOCC1(CCCCCCOC2CCCCO2)CC=CC1
InChIInChI=1S/C17H30O3/c18-15-17(11-5-6-12-17)10-4-1-2-7-13-19-16-9-3-8-14-20-16/h5-6,16,18H,1-4,7-15H2
InChIKeyKZGFIRMEAATRAZ-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol?
The IUPAC name of [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol (CID 54021530) is [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol is OCC1(CCCCCCOC2CCCCO2)CC=CC1.
What is the InChIKey of [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol?
The InChIKey is KZGFIRMEAATRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c18-15-17(11-5-6-12-17)10-4-1-2-7-13-19-16-9-3-8-14-20-16/h5-6,16,18H,1-4,7-15H2.
What are the key properties of [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol?
[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol has a molecular weight of 282.42 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 54021530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).