[(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol

C12H22O5 — CID 10490642

IUPAC[(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol
SMILESCOCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1CO
InChIInChI=1S/C12H22O5/c1-14-8-16-6-11-4-3-10(5-13)12(11)7-17-9-15-2/h3-4,10-13H,5-9H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyRQHLTUFDOMUBMQ-TUAOUCFPSA-N
MW246.30 g/mol
LogP0.64
Rot. Bonds9

About [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol

[(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol (PubChem CID 10490642) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol
PubChem CID10490642
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name[(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol
SMILESCOCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1CO
InChIInChI=1S/C12H22O5/c1-14-8-16-6-11-4-3-10(5-13)12(11)7-17-9-15-2/h3-4,10-13H,5-9H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyRQHLTUFDOMUBMQ-TUAOUCFPSA-N
XLogP0.64
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol (CID 10490642) is [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol is COCOC[C@@H]1[C@@H](COCOC)C=C[C@H]1CO.
What is the InChIKey of [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol?
The InChIKey is RQHLTUFDOMUBMQ-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H22O5/c1-14-8-16-6-11-4-3-10(5-13)12(11)7-17-9-15-2/h3-4,10-13H,5-9H2,1-2H3/t10-,11+,12-/m0/s1.
What are the key properties of [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol?
[(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol has a molecular weight of 246.30 g/mol, XLogP of 0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,5S)-4,5-bis(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 10490642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).