(3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane

C12H20O3 — CID 101224203

IUPAC(3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
SMILESC=C(C)[C@H]1OOC2(CCCCC2)O[C@@H]1C
InChIInChI=1S/C12H20O3/c1-9(2)11-10(3)13-12(15-14-11)7-5-4-6-8-12/h10-11H,1,4-8H2,2-3H3/t10-,11-/m1/s1
InChIKeyPMZLYBXPWUADMF-GHMZBOCLSA-N
MW212.29 g/mol
LogP2.96
Rot. Bonds1

About (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane

(3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane (PubChem CID 101224203) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
PubChem CID101224203
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
SMILESC=C(C)[C@H]1OOC2(CCCCC2)O[C@@H]1C
InChIInChI=1S/C12H20O3/c1-9(2)11-10(3)13-12(15-14-11)7-5-4-6-8-12/h10-11H,1,4-8H2,2-3H3/t10-,11-/m1/s1
InChIKeyPMZLYBXPWUADMF-GHMZBOCLSA-N
XLogP2.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
CID 44391140
(5S)-3,3,5-trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 44391120
4-(1,2,5-Trioxaspiro[5.5]undecan-3-yl)pent-4-en-1-ol
CID 44300038
(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 10987268
(8R,9R)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 11745613
3,3,5-Trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 75009606
(5R,6R)-3,3,5-trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 101224202
(8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 124653675
(5R,6R)-3-ethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 134992685
6-Hept-1-en-2-yl-1,2,4-trioxane
CID 87737190
1-(2-Methoxyethoxy)-3-methylidenecyclohexane
CID 90950095
(1R,4R,5R)-1-ethyl-4-prop-1-en-2-yl-2,3,8,9-tetraoxabicyclo[3.3.1]nonane
CID 24749799

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane?
The IUPAC name of (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane (CID 101224203) is (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane.
What is the SMILES notation for (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane?
The canonical SMILES for (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane is C=C(C)[C@H]1OOC2(CCCCC2)O[C@@H]1C.
What is the InChIKey of (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane?
The InChIKey is PMZLYBXPWUADMF-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20O3/c1-9(2)11-10(3)13-12(15-14-11)7-5-4-6-8-12/h10-11H,1,4-8H2,2-3H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane?
(3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane has a molecular weight of 212.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane is sourced from PubChem (CID 101224203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).