2-(2-methylhexyl)-1,3-dioxolane

C10H20O2 — CID 11970893

IUPAC2-(2-methylhexyl)-1,3-dioxolane
SMILESCCCCC(C)CC1OCCO1
InChIInChI=1S/C10H20O2/c1-3-4-5-9(2)8-10-11-6-7-12-10/h9-10H,3-8H2,1-2H3
InChIKeyZFHUCYSXTQCMMB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-methylhexyl)-1,3-dioxolane

2-(2-methylhexyl)-1,3-dioxolane (PubChem CID 11970893) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2-methylhexyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-methylhexyl)-1,3-dioxolane
PubChem CID11970893
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(2-methylhexyl)-1,3-dioxolane
SMILESCCCCC(C)CC1OCCO1
InChIInChI=1S/C10H20O2/c1-3-4-5-9(2)8-10-11-6-7-12-10/h9-10H,3-8H2,1-2H3
InChIKeyZFHUCYSXTQCMMB-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylhexyl)-1,3-dioxolane?
The IUPAC name of 2-(2-methylhexyl)-1,3-dioxolane (CID 11970893) is 2-(2-methylhexyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-methylhexyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-methylhexyl)-1,3-dioxolane is CCCCC(C)CC1OCCO1.
What is the InChIKey of 2-(2-methylhexyl)-1,3-dioxolane?
The InChIKey is ZFHUCYSXTQCMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-9(2)8-10-11-6-7-12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(2-methylhexyl)-1,3-dioxolane?
2-(2-methylhexyl)-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylhexyl)-1,3-dioxolane is sourced from PubChem (CID 11970893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).