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

C10H20O2 — CID 20702696

IUPAC2,4-dimethyl-6-propan-2-yloxan-3-ol
SMILESCC(C)C1CC(C)C(O)C(C)O1
InChIInChI=1S/C10H20O2/c1-6(2)9-5-7(3)10(11)8(4)12-9/h6-11H,5H2,1-4H3
InChIKeyDWNLVWBMTGLKCA-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds1

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

2,4-dimethyl-6-propan-2-yloxan-3-ol (PubChem CID 20702696) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,4-dimethyl-6-propan-2-yloxan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-6-propan-2-yloxan-3-ol
PubChem CID20702696
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,4-dimethyl-6-propan-2-yloxan-3-ol
SMILESCC(C)C1CC(C)C(O)C(C)O1
InChIInChI=1S/C10H20O2/c1-6(2)9-5-7(3)10(11)8(4)12-9/h6-11H,5H2,1-4H3
InChIKeyDWNLVWBMTGLKCA-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-propan-2-yloxan-3-ol?
The IUPAC name of 2,4-dimethyl-6-propan-2-yloxan-3-ol (CID 20702696) is 2,4-dimethyl-6-propan-2-yloxan-3-ol.
What is the SMILES notation for 2,4-dimethyl-6-propan-2-yloxan-3-ol?
The canonical SMILES for 2,4-dimethyl-6-propan-2-yloxan-3-ol is CC(C)C1CC(C)C(O)C(C)O1.
What is the InChIKey of 2,4-dimethyl-6-propan-2-yloxan-3-ol?
The InChIKey is DWNLVWBMTGLKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6(2)9-5-7(3)10(11)8(4)12-9/h6-11H,5H2,1-4H3.
What are the key properties of 2,4-dimethyl-6-propan-2-yloxan-3-ol?
2,4-dimethyl-6-propan-2-yloxan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-propan-2-yloxan-3-ol is sourced from PubChem (CID 20702696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).