4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol

C8H14O3 — CID 129132379

IUPAC4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol
SMILESCC1=C(CC(C)C)OC(O)O1
InChIInChI=1S/C8H14O3/c1-5(2)4-7-6(3)10-8(9)11-7/h5,8-9H,4H2,1-3H3
InChIKeyDEBSKXGAIKUAHE-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.59
Rot. Bonds2

About 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol

4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol (PubChem CID 129132379) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol
PubChem CID129132379
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol
SMILESCC1=C(CC(C)C)OC(O)O1
InChIInChI=1S/C8H14O3/c1-5(2)4-7-6(3)10-8(9)11-7/h5,8-9H,4H2,1-3H3
InChIKeyDEBSKXGAIKUAHE-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol (CID 129132379) is 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol is CC1=C(CC(C)C)OC(O)O1.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol?
The InChIKey is DEBSKXGAIKUAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(2)4-7-6(3)10-8(9)11-7/h5,8-9H,4H2,1-3H3.
What are the key properties of 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol?
4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol has a molecular weight of 158.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol is sourced from PubChem (CID 129132379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).