5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one

C10H18O4 — CID 14326043

IUPAC5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one
SMILESCC(C)OC1OC(=O)CC(C)(C)C1O
InChIInChI=1S/C10H18O4/c1-6(2)13-9-8(12)10(3,4)5-7(11)14-9/h6,8-9,12H,5H2,1-4H3
InChIKeyGKAMDOTUELQVQX-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.07
Rot. Bonds2

About 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one

5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one (PubChem CID 14326043) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one.

Molecular Properties

Compound Name5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one
PubChem CID14326043
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one
SMILESCC(C)OC1OC(=O)CC(C)(C)C1O
InChIInChI=1S/C10H18O4/c1-6(2)13-9-8(12)10(3,4)5-7(11)14-9/h6,8-9,12H,5H2,1-4H3
InChIKeyGKAMDOTUELQVQX-UHFFFAOYSA-N
XLogP1.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one?
The IUPAC name of 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one (CID 14326043) is 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one.
What is the SMILES notation for 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one?
The canonical SMILES for 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one is CC(C)OC1OC(=O)CC(C)(C)C1O.
What is the InChIKey of 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one?
The InChIKey is GKAMDOTUELQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6(2)13-9-8(12)10(3,4)5-7(11)14-9/h6,8-9,12H,5H2,1-4H3.
What are the key properties of 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one?
5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one has a molecular weight of 202.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4-dimethyl-6-propan-2-yloxyoxan-2-one is sourced from PubChem (CID 14326043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).