(2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde

C20H24O5 — CID 23628522

IUPAC(2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde
SMILESC=C1C[C@H](OCc2ccc(OC)cc2)[C@@H](C)[C@@H]1[C@H]1OC(=O)C[C@@H]1C=O
InChIInChI=1S/C20H24O5/c1-12-8-17(24-11-14-4-6-16(23-3)7-5-14)13(2)19(12)20-15(10-21)9-18(22)25-20/h4-7,10,13,15,17,19-20H,1,8-9,11H2,2-3H3/t13-,15-,17+,19-,20+/m1/s1
InChIKeySINDBEIFEIIJJV-KQOJVLMTSA-N
MW344.41 g/mol
LogP2.92
Rot. Bonds6

About (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde

(2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde (PubChem CID 23628522) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde
PubChem CID23628522
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde
SMILESC=C1C[C@H](OCc2ccc(OC)cc2)[C@@H](C)[C@@H]1[C@H]1OC(=O)C[C@@H]1C=O
InChIInChI=1S/C20H24O5/c1-12-8-17(24-11-14-4-6-16(23-3)7-5-14)13(2)19(12)20-15(10-21)9-18(22)25-20/h4-7,10,13,15,17,19-20H,1,8-9,11H2,2-3H3/t13-,15-,17+,19-,20+/m1/s1
InChIKeySINDBEIFEIIJJV-KQOJVLMTSA-N
XLogP2.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde?
The IUPAC name of (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde (CID 23628522) is (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde.
What is the SMILES notation for (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde?
The canonical SMILES for (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde is C=C1C[C@H](OCc2ccc(OC)cc2)[C@@H](C)[C@@H]1[C@H]1OC(=O)C[C@@H]1C=O.
What is the InChIKey of (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde?
The InChIKey is SINDBEIFEIIJJV-KQOJVLMTSA-N. The full InChI is InChI=1S/C20H24O5/c1-12-8-17(24-11-14-4-6-16(23-3)7-5-14)13(2)19(12)20-15(10-21)9-18(22)25-20/h4-7,10,13,15,17,19-20H,1,8-9,11H2,2-3H3/t13-,15-,17+,19-,20+/m1/s1.
What are the key properties of (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde?
(2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde has a molecular weight of 344.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-methylidenecyclopentyl]-5-oxooxolane-3-carbaldehyde is sourced from PubChem (CID 23628522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).