(1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde

C10H14O4 — CID 10512153

IUPAC(1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde
SMILESCOCOCC1[C@H](C=O)C=C[C@@H]1C=O
InChIInChI=1S/C10H14O4/c1-13-7-14-6-10-8(4-11)2-3-9(10)5-12/h2-5,8-10H,6-7H2,1H3/t8-,9+,10?
InChIKeyLLAOCVYWPXNVGV-ULKQDVFKSA-N
MW198.22 g/mol
LogP0.42
Rot. Bonds6

About (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde

(1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde (PubChem CID 10512153) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name(1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde
PubChem CID10512153
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde
SMILESCOCOCC1[C@H](C=O)C=C[C@@H]1C=O
InChIInChI=1S/C10H14O4/c1-13-7-14-6-10-8(4-11)2-3-9(10)5-12/h2-5,8-10H,6-7H2,1H3/t8-,9+,10?
InChIKeyLLAOCVYWPXNVGV-ULKQDVFKSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde
CID 10728978

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde?
The IUPAC name of (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde (CID 10512153) is (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde.
What is the SMILES notation for (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde?
The canonical SMILES for (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde is COCOCC1[C@H](C=O)C=C[C@@H]1C=O.
What is the InChIKey of (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde?
The InChIKey is LLAOCVYWPXNVGV-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-7-14-6-10-8(4-11)2-3-9(10)5-12/h2-5,8-10H,6-7H2,1H3/t8-,9+,10?.
What are the key properties of (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde?
(1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde is sourced from PubChem (CID 10512153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).