1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one

C10H18O3 — CID 155264401

IUPAC1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one
SMILESCC1CCCC(O)(C(=O)C(C)C)O1
InChIInChI=1S/C10H18O3/c1-7(2)9(11)10(12)6-4-5-8(3)13-10/h7-8,12H,4-6H2,1-3H3
InChIKeyFZCDPZLATYFNOD-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds2

About 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one

1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one (PubChem CID 155264401) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one
PubChem CID155264401
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one
SMILESCC1CCCC(O)(C(=O)C(C)C)O1
InChIInChI=1S/C10H18O3/c1-7(2)9(11)10(12)6-4-5-8(3)13-10/h7-8,12H,4-6H2,1-3H3
InChIKeyFZCDPZLATYFNOD-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one (CID 155264401) is 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one is CC1CCCC(O)(C(=O)C(C)C)O1.
What is the InChIKey of 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one?
The InChIKey is FZCDPZLATYFNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)9(11)10(12)6-4-5-8(3)13-10/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one?
1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 155264401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).