(3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde

C8H12O3 — CID 131227891

IUPAC(3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde
SMILESCOCO[C@H]1C=C(C=O)CC1
InChIInChI=1S/C8H12O3/c1-10-6-11-8-3-2-7(4-8)5-9/h4-5,8H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyHGHXSMTVXMNIML-MRVPVSSYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds4

About (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde

(3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde (PubChem CID 131227891) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde
PubChem CID131227891
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde
SMILESCOCO[C@H]1C=C(C=O)CC1
InChIInChI=1S/C8H12O3/c1-10-6-11-8-3-2-7(4-8)5-9/h4-5,8H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyHGHXSMTVXMNIML-MRVPVSSYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde?
The IUPAC name of (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde (CID 131227891) is (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde.
What is the SMILES notation for (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde?
The canonical SMILES for (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde is COCO[C@H]1C=C(C=O)CC1.
What is the InChIKey of (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde?
The InChIKey is HGHXSMTVXMNIML-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-6-11-8-3-2-7(4-8)5-9/h4-5,8H,2-3,6H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde?
(3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde is sourced from PubChem (CID 131227891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).