2,3,4-trimethyl-6-propan-2-yloxan-4-ol

C11H22O2 — CID 21348471

IUPAC2,3,4-trimethyl-6-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(C)(O)C(C)C(C)O1
InChIInChI=1S/C11H22O2/c1-7(2)10-6-11(5,12)8(3)9(4)13-10/h7-10,12H,6H2,1-5H3
InChIKeyWTXJCAMNLJAING-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds1

About 2,3,4-trimethyl-6-propan-2-yloxan-4-ol

2,3,4-trimethyl-6-propan-2-yloxan-4-ol (PubChem CID 21348471) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,3,4-trimethyl-6-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name2,3,4-trimethyl-6-propan-2-yloxan-4-ol
PubChem CID21348471
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,3,4-trimethyl-6-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(C)(O)C(C)C(C)O1
InChIInChI=1S/C11H22O2/c1-7(2)10-6-11(5,12)8(3)9(4)13-10/h7-10,12H,6H2,1-5H3
InChIKeyWTXJCAMNLJAING-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-6-propan-2-yloxan-4-ol?
The IUPAC name of 2,3,4-trimethyl-6-propan-2-yloxan-4-ol (CID 21348471) is 2,3,4-trimethyl-6-propan-2-yloxan-4-ol.
What is the SMILES notation for 2,3,4-trimethyl-6-propan-2-yloxan-4-ol?
The canonical SMILES for 2,3,4-trimethyl-6-propan-2-yloxan-4-ol is CC(C)C1CC(C)(O)C(C)C(C)O1.
What is the InChIKey of 2,3,4-trimethyl-6-propan-2-yloxan-4-ol?
The InChIKey is WTXJCAMNLJAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7(2)10-6-11(5,12)8(3)9(4)13-10/h7-10,12H,6H2,1-5H3.
What are the key properties of 2,3,4-trimethyl-6-propan-2-yloxan-4-ol?
2,3,4-trimethyl-6-propan-2-yloxan-4-ol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-6-propan-2-yloxan-4-ol is sourced from PubChem (CID 21348471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).