2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane

C12H24O2 — CID 143652842

IUPAC2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane
SMILESCCC(C)(C)CC(C)(C)C1OCCO1
InChIInChI=1S/C12H24O2/c1-6-11(2,3)9-12(4,5)10-13-7-8-14-10/h10H,6-9H2,1-5H3
InChIKeyOGZQREBRAHBWQC-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds4

About 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane

2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane (PubChem CID 143652842) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane
PubChem CID143652842
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane
SMILESCCC(C)(C)CC(C)(C)C1OCCO1
InChIInChI=1S/C12H24O2/c1-6-11(2,3)9-12(4,5)10-13-7-8-14-10/h10H,6-9H2,1-5H3
InChIKeyOGZQREBRAHBWQC-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane (CID 143652842) is 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane is CCC(C)(C)CC(C)(C)C1OCCO1.
What is the InChIKey of 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane?
The InChIKey is OGZQREBRAHBWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-11(2,3)9-12(4,5)10-13-7-8-14-10/h10H,6-9H2,1-5H3.
What are the key properties of 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane?
2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane has a molecular weight of 200.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethylhexan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 143652842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).