[(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol

C8H14O3 — CID 102213219

IUPAC[(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
SMILESCOCO[C@H]1CC=C[C@@H]1CO
InChIInChI=1S/C8H14O3/c1-10-6-11-8-4-2-3-7(8)5-9/h2-3,7-9H,4-6H2,1H3/t7-,8+/m1/s1
InChIKeyNIHORPRSCCGZPO-SFYZADRCSA-N
MW158.20 g/mol
LogP0.54
Rot. Bonds4

About [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol

[(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol (PubChem CID 102213219) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
PubChem CID102213219
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
SMILESCOCO[C@H]1CC=C[C@@H]1CO
InChIInChI=1S/C8H14O3/c1-10-6-11-8-4-2-3-7(8)5-9/h2-3,7-9H,4-6H2,1H3/t7-,8+/m1/s1
InChIKeyNIHORPRSCCGZPO-SFYZADRCSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol (CID 102213219) is [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol is COCO[C@H]1CC=C[C@@H]1CO.
What is the InChIKey of [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol?
The InChIKey is NIHORPRSCCGZPO-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-6-11-8-4-2-3-7(8)5-9/h2-3,7-9H,4-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol?
[(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 102213219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).