(1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol

C13H24O3 — CID 11031629

IUPAC(1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol
SMILESCOCOCCCCCC[C@H]1C=CC[C@@H]1O
InChIInChI=1S/C13H24O3/c1-15-11-16-10-5-3-2-4-7-12-8-6-9-13(12)14/h6,8,12-14H,2-5,7,9-11H2,1H3/t12-,13-/m0/s1
InChIKeyJEJUPDDLZLTAEP-STQMWFEESA-N
MW228.33 g/mol
LogP2.49
Rot. Bonds9

About (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol

(1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol (PubChem CID 11031629) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol
PubChem CID11031629
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol
SMILESCOCOCCCCCC[C@H]1C=CC[C@@H]1O
InChIInChI=1S/C13H24O3/c1-15-11-16-10-5-3-2-4-7-12-8-6-9-13(12)14/h6,8,12-14H,2-5,7,9-11H2,1H3/t12-,13-/m0/s1
InChIKeyJEJUPDDLZLTAEP-STQMWFEESA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol?
The IUPAC name of (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol (CID 11031629) is (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol.
What is the SMILES notation for (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol?
The canonical SMILES for (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol is COCOCCCCCC[C@H]1C=CC[C@@H]1O.
What is the InChIKey of (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol?
The InChIKey is JEJUPDDLZLTAEP-STQMWFEESA-N. The full InChI is InChI=1S/C13H24O3/c1-15-11-16-10-5-3-2-4-7-12-8-6-9-13(12)14/h6,8,12-14H,2-5,7,9-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol?
(1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol is sourced from PubChem (CID 11031629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).