2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane

C16H28O4 — CID 70568386

IUPAC2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane
SMILESC=CC[C@H]1CC[C@@H](OC2CCCCO2)[C@@H]1C(OC)OC
InChIInChI=1S/C16H28O4/c1-4-7-12-9-10-13(15(12)16(17-2)18-3)20-14-8-5-6-11-19-14/h4,12-16H,1,5-11H2,2-3H3/t12-,13+,14?,15+/m0/s1
InChIKeyWOZLHEVUTALNHY-MCBWDKPDSA-N
MW284.40 g/mol
LogP3.12
Rot. Bonds7

About 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane

2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane (PubChem CID 70568386) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane.

Molecular Properties

Compound Name2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane
PubChem CID70568386
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane
SMILESC=CC[C@H]1CC[C@@H](OC2CCCCO2)[C@@H]1C(OC)OC
InChIInChI=1S/C16H28O4/c1-4-7-12-9-10-13(15(12)16(17-2)18-3)20-14-8-5-6-11-19-14/h4,12-16H,1,5-11H2,2-3H3/t12-,13+,14?,15+/m0/s1
InChIKeyWOZLHEVUTALNHY-MCBWDKPDSA-N
XLogP3.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane?
The IUPAC name of 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane (CID 70568386) is 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane.
What is the SMILES notation for 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane?
The canonical SMILES for 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane is C=CC[C@H]1CC[C@@H](OC2CCCCO2)[C@@H]1C(OC)OC.
What is the InChIKey of 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane?
The InChIKey is WOZLHEVUTALNHY-MCBWDKPDSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-7-12-9-10-13(15(12)16(17-2)18-3)20-14-8-5-6-11-19-14/h4,12-16H,1,5-11H2,2-3H3/t12-,13+,14?,15+/m0/s1.
What are the key properties of 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane?
2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane has a molecular weight of 284.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R)-2-(dimethoxymethyl)-3-prop-2-enylcyclopentyl]oxyoxane is sourced from PubChem (CID 70568386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).