2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol

C16H30O2 — CID 24745243

IUPAC2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol
SMILESCCCCCCCCCO[C@H]1C=CC[C@H]1CCO
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-14-18-16-11-9-10-15(16)12-13-17/h9,11,15-17H,2-8,10,12-14H2,1H3/t15-,16-/m0/s1
InChIKeyDAKXSJKZMAHMNR-HOTGVXAUSA-N
MW254.41 g/mol
LogP4.08
Rot. Bonds11

About 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol

2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol (PubChem CID 24745243) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol
PubChem CID24745243
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol
SMILESCCCCCCCCCO[C@H]1C=CC[C@H]1CCO
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-14-18-16-11-9-10-15(16)12-13-17/h9,11,15-17H,2-8,10,12-14H2,1H3/t15-,16-/m0/s1
InChIKeyDAKXSJKZMAHMNR-HOTGVXAUSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol?
The IUPAC name of 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol (CID 24745243) is 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol?
The canonical SMILES for 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol is CCCCCCCCCO[C@H]1C=CC[C@H]1CCO.
What is the InChIKey of 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol?
The InChIKey is DAKXSJKZMAHMNR-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-14-18-16-11-9-10-15(16)12-13-17/h9,11,15-17H,2-8,10,12-14H2,1H3/t15-,16-/m0/s1.
What are the key properties of 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol?
2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol has a molecular weight of 254.41 g/mol, XLogP of 4.08, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-nonoxycyclopent-3-en-1-yl]ethanol is sourced from PubChem (CID 24745243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).