2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane

C9H18O2 — CID 12914103

IUPAC2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane
SMILESCC1OC(C)(C(C)C)OC1C
InChIInChI=1S/C9H18O2/c1-6(2)9(5)10-7(3)8(4)11-9/h6-8H,1-5H3
InChIKeyLWSQLZSGYMNBJF-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.18
Rot. Bonds1

About 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane

2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 12914103) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane
PubChem CID12914103
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane
SMILESCC1OC(C)(C(C)C)OC1C
InChIInChI=1S/C9H18O2/c1-6(2)9(5)10-7(3)8(4)11-9/h6-8H,1-5H3
InChIKeyLWSQLZSGYMNBJF-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane (CID 12914103) is 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane is CC1OC(C)(C(C)C)OC1C.
What is the InChIKey of 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is LWSQLZSGYMNBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-6(2)9(5)10-7(3)8(4)11-9/h6-8H,1-5H3.
What are the key properties of 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane?
2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 12914103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).