(2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane

C11H20O3 — CID 23228721

IUPAC(2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane
SMILESCOC[C@@H]1CCO[C@H](C2CCCC2)O1
InChIInChI=1S/C11H20O3/c1-12-8-10-6-7-13-11(14-10)9-4-2-3-5-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyLYTPVYGOFWPTSA-QWRGUYRKSA-N
MW200.28 g/mol
LogP1.95
Rot. Bonds3

About (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane

(2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane (PubChem CID 23228721) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane.

Molecular Properties

Compound Name(2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane
PubChem CID23228721
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane
SMILESCOC[C@@H]1CCO[C@H](C2CCCC2)O1
InChIInChI=1S/C11H20O3/c1-12-8-10-6-7-13-11(14-10)9-4-2-3-5-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyLYTPVYGOFWPTSA-QWRGUYRKSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Heptan-3-yl-4,4,6-trimethyl-1,3-dioxane
CID 2924887
2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523
5-Ethyl-2,4-dipropyl-1,3-dioxane
CID 221917
CID 135047248
CID 135047248
CID 134899996
CID 134899996
(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane
CID 134964241
CID 135083397
CID 135083397
8-Ethyl-7-propyl-6,10-dioxaspiro[4.5]decane
CID 221683
5-Ethyl-2-hexyl-4-propyl-1,3-dioxane
CID 221711
2,3,4-Trimethoxy-5,6-dimethyloxane
CID 18719673
4-(2,5-Dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane
CID 18740058
4-(Cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 18965526

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane?
The IUPAC name of (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane (CID 23228721) is (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane.
What is the SMILES notation for (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane?
The canonical SMILES for (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane is COC[C@@H]1CCO[C@H](C2CCCC2)O1.
What is the InChIKey of (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane?
The InChIKey is LYTPVYGOFWPTSA-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20O3/c1-12-8-10-6-7-13-11(14-10)9-4-2-3-5-9/h9-11H,2-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane?
(2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane has a molecular weight of 200.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane is sourced from PubChem (CID 23228721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).