(3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene

C11H20O2 — CID 89444486

IUPAC(3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene
SMILESCOC(OC)[C@H]1CCC(C)=C[C@H]1C
InChIInChI=1S/C11H20O2/c1-8-5-6-10(9(2)7-8)11(12-3)13-4/h7,9-11H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyOIZNJBIUUHUFAI-ZJUUUORDSA-N
MW184.28 g/mol
LogP2.60
Rot. Bonds3

About (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene

(3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene (PubChem CID 89444486) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene.

Molecular Properties

Compound Name(3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene
PubChem CID89444486
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene
SMILESCOC(OC)[C@H]1CCC(C)=C[C@H]1C
InChIInChI=1S/C11H20O2/c1-8-5-6-10(9(2)7-8)11(12-3)13-4/h7,9-11H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyOIZNJBIUUHUFAI-ZJUUUORDSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene?
The IUPAC name of (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene (CID 89444486) is (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene.
What is the SMILES notation for (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene?
The canonical SMILES for (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene is COC(OC)[C@H]1CCC(C)=C[C@H]1C.
What is the InChIKey of (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene?
The InChIKey is OIZNJBIUUHUFAI-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-5-6-10(9(2)7-8)11(12-3)13-4/h7,9-11H,5-6H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene?
(3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene has a molecular weight of 184.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene is sourced from PubChem (CID 89444486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).