(4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane

C11H15O3- — CID 135037400

IUPAC(4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane
SMILESCOC[C@@H]1CCOC(c2ccc[cH-]2)O1
InChIInChI=1S/C11H15O3/c1-12-8-10-6-7-13-11(14-10)9-4-2-3-5-9/h2-5,10-11H,6-8H2,1H3/q-1/t10-,11?/m0/s1
InChIKeyZMIJYWJVRUTITE-VUWPPUDQSA-N
MW195.24 g/mol
LogP1.86
Rot. Bonds3

About (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane

(4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane (PubChem CID 135037400) has the molecular formula C11H15O3- and a molecular weight of 195.24 g/mol. Its IUPAC name is (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane.

Molecular Properties

Compound Name(4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane
PubChem CID135037400
Molecular FormulaC11H15O3-
Molecular Weight195.24 g/mol
Exact Mass195.10
IUPAC Name(4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane
SMILESCOC[C@@H]1CCOC(c2ccc[cH-]2)O1
InChIInChI=1S/C11H15O3/c1-12-8-10-6-7-13-11(14-10)9-4-2-3-5-9/h2-5,10-11H,6-8H2,1H3/q-1/t10-,11?/m0/s1
InChIKeyZMIJYWJVRUTITE-VUWPPUDQSA-N
XLogP1.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

CID 135047252
CID 135047252
CID 10619380
CID 10619380
4-(oxiran-2-ylmethoxymethyl)-2-phenyl-1,3-dioxane
CID 163610147
2,5-bis(methoxymethyl)oxolane
CID 57041378
[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 16688961
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
[5-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopenta-1,3-dien-1-yl] acetate
CID 138976154
CID 10746218
CID 10746218
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
CID 156540563
bis(2-(methoxymethyl)oxirane);naphthalene
CID 90795590
[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium
CID 91349043
N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
CID 58287035

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane?
The IUPAC name of (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane (CID 135037400) is (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane.
What is the SMILES notation for (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane?
The canonical SMILES for (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane is COC[C@@H]1CCOC(c2ccc[cH-]2)O1.
What is the InChIKey of (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane?
The InChIKey is ZMIJYWJVRUTITE-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H15O3/c1-12-8-10-6-7-13-11(14-10)9-4-2-3-5-9/h2-5,10-11H,6-8H2,1H3/q-1/t10-,11?/m0/s1.
What are the key properties of (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane?
(4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane has a molecular weight of 195.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane is sourced from PubChem (CID 135037400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).