(6R)-6-(hydroxymethyl)-6-methyloxan-2-one

C7H12O3 — CID 129388764

IUPAC(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
SMILESC[C@]1(CO)CCCC(=O)O1
InChIInChI=1S/C7H12O3/c1-7(5-8)4-2-3-6(9)10-7/h8H,2-5H2,1H3/t7-/m1/s1
InChIKeyPTDAVRQISCKRMU-SSDOTTSWSA-N
MW144.17 g/mol
LogP0.46
Rot. Bonds1

About (6R)-6-(hydroxymethyl)-6-methyloxan-2-one

(6R)-6-(hydroxymethyl)-6-methyloxan-2-one (PubChem CID 129388764) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (6R)-6-(hydroxymethyl)-6-methyloxan-2-one.

Molecular Properties

Compound Name(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
PubChem CID129388764
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
SMILESC[C@]1(CO)CCCC(=O)O1
InChIInChI=1S/C7H12O3/c1-7(5-8)4-2-3-6(9)10-7/h8H,2-5H2,1H3/t7-/m1/s1
InChIKeyPTDAVRQISCKRMU-SSDOTTSWSA-N
XLogP0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
(7R)-7-methyl-7-prop-2-enyloxepan-2-one
CID 146173300
5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one
CID 174285026
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
5-(cyclobutylmethyl)-5-methyloxolan-2-one
CID 103439680
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
5-methyl-5-(2-trimethylsilylethyl)oxolan-2-one
CID 10987279
5-methyl-5-prop-2-ynyloxolan-2-one
CID 13357607
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one
CID 10560652
5-(ethoxymethyl)-5-methyloxolan-2-one
CID 103439717
6,6-dibutyloxan-2-one
CID 10822452
2,2-diethyl-1,3-dioxocane-4,8-dione
CID 70532987

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(hydroxymethyl)-6-methyloxan-2-one?
The IUPAC name of (6R)-6-(hydroxymethyl)-6-methyloxan-2-one (CID 129388764) is (6R)-6-(hydroxymethyl)-6-methyloxan-2-one.
What is the SMILES notation for (6R)-6-(hydroxymethyl)-6-methyloxan-2-one?
The canonical SMILES for (6R)-6-(hydroxymethyl)-6-methyloxan-2-one is C[C@]1(CO)CCCC(=O)O1.
What is the InChIKey of (6R)-6-(hydroxymethyl)-6-methyloxan-2-one?
The InChIKey is PTDAVRQISCKRMU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(5-8)4-2-3-6(9)10-7/h8H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (6R)-6-(hydroxymethyl)-6-methyloxan-2-one?
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(hydroxymethyl)-6-methyloxan-2-one is sourced from PubChem (CID 129388764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).