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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Related Compounds

2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethanol
CID 24744920
(3R,4S)-4-[2-(3-methylbutoxy)ethyl]-3-nonoxycyclopentene
CID 24744921
2-[(E)-6-methoxyhex-4-enyl]butane-1,4-diol
CID 134903024
(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-6-methylheptan-1-ol
CID 10352718
Ufhpunsmsvpkbx-lslkugrbsa-
CID 23240238
(6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol
CID 23427160
2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 59026991
4-Ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol
CID 59229163
3-Ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol
CID 59229171
4-Butoxy-3-butyl-5,6-dimethylcyclohex-2-en-1-ol
CID 59229176
4-Butoxy-3-butyl-5,6-dimethylcyclohex-2-en-1-ol
CID 59229177
4-butoxy-3-[(E)-7-hydroxy-7-methyldec-2-enyl]-5,6-dimethylcyclohex-2-en-1-ol
CID 59229215

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).