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

C12H22O2 — CID 141403809

IUPAC2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole
SMILESCC(C)CCC[C@@H](C)CC1OC=CO1
InChIInChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h7-8,10-12H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyCFNZJHKLAAQLBS-LLVKDONJSA-N
MW198.31 g/mol
LogP3.68
Rot. Bonds6

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

2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole (PubChem CID 141403809) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole.

Molecular Properties

Compound Name2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole
PubChem CID141403809
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole
SMILESCC(C)CCC[C@@H](C)CC1OC=CO1
InChIInChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h7-8,10-12H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyCFNZJHKLAAQLBS-LLVKDONJSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2R)-2,6-dimethylheptyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole?
The IUPAC name of 2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole (CID 141403809) is 2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole.
What is the SMILES notation for 2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole?
The canonical SMILES for 2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole is CC(C)CCC[C@@H](C)CC1OC=CO1.
What is the InChIKey of 2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole?
The InChIKey is CFNZJHKLAAQLBS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h7-8,10-12H,4-6,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole?
2-[(2R)-2,6-dimethylheptyl]-1,3-dioxole has a molecular weight of 198.31 g/mol, XLogP of 3.68, 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]-1,3-dioxole is sourced from PubChem (CID 141403809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).