2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole

C13H24O2 — CID 141403794

IUPAC2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole
SMILESCC1=COC(C[C@H](C)CCCC(C)C)O1
InChIInChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h9-11,13H,5-8H2,1-4H3/t11-,13?/m1/s1
InChIKeyMTXWJZKPAKKZCZ-JTDNENJMSA-N
MW212.33 g/mol
LogP4.07
Rot. Bonds6

About 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole

2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole (PubChem CID 141403794) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole.

Molecular Properties

Compound Name2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole
PubChem CID141403794
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole
SMILESCC1=COC(C[C@H](C)CCCC(C)C)O1
InChIInChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h9-11,13H,5-8H2,1-4H3/t11-,13?/m1/s1
InChIKeyMTXWJZKPAKKZCZ-JTDNENJMSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole 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

2-Hexyl-4-methyl-1,3-dioxole
CID 13058518
2-(2-Butylheptyl)-1,3-dioxole
CID 141121489
2-Undecan-5-yl-1,3-dioxole
CID 141237905
2-Cyclohexyl-4-methyl-1,3-dioxole
CID 141309438
2-[(2R)-2,6-dimethylheptyl]-4,5-dimethyl-1,3-dioxole
CID 141403793
2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole
CID 141403809
2,2-Dimethyl-4-(5,9,13-trimethyltetradecyl)-1,3-dioxole
CID 141426026
[2-(6,8-Dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol
CID 141447034
2-Heptyl-4-methyl-1,3-dioxole
CID 141478872
3-[2-(2-Methylprop-1-enoxy)ethyl]-2,2-dipropoxyundecane
CID 149611478
2,2-Diethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
CID 149802049
3,3-Diethoxy-4-[2-(2-methylprop-1-enoxy)ethyl]dodecane
CID 150545142

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole?
The IUPAC name of 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole (CID 141403794) is 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole.
What is the SMILES notation for 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole?
The canonical SMILES for 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole is CC1=COC(C[C@H](C)CCCC(C)C)O1.
What is the InChIKey of 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole?
The InChIKey is MTXWJZKPAKKZCZ-JTDNENJMSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h9-11,13H,5-8H2,1-4H3/t11-,13?/m1/s1.
What are the key properties of 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole?
2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole has a molecular weight of 212.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,6-dimethylheptyl]-4-methyl-1,3-dioxole is sourced from PubChem (CID 141403794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).