4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one

C11H20O4 — CID 14258224

IUPAC4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one
SMILESCCC(=O)C(O)CCCC1(C)OCCO1
InChIInChI=1S/C11H20O4/c1-3-9(12)10(13)5-4-6-11(2)14-7-8-15-11/h10,13H,3-8H2,1-2H3
InChIKeyVLOKLUPWVNRNSD-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.26
Rot. Bonds6

About 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one

4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one (PubChem CID 14258224) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one.

Molecular Properties

Compound Name4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one
PubChem CID14258224
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one
SMILESCCC(=O)C(O)CCCC1(C)OCCO1
InChIInChI=1S/C11H20O4/c1-3-9(12)10(13)5-4-6-11(2)14-7-8-15-11/h10,13H,3-8H2,1-2H3
InChIKeyVLOKLUPWVNRNSD-UHFFFAOYSA-N
XLogP1.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
CID 71587572
6-O-octanoyl-beta-D-fructofuranose
CID 146330188
(5S)-5-hydroxy-1-(2-methyl-1,3-dioxolan-2-yl)heptan-4-one
CID 14444543
3-[(4S,5R)-5-[(6S)-6-hydroxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 134836601
(3S,4R,5S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methyl-4-propan-2-yloxyhexan-2-one
CID 134855192
(3R,4S,5R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methyl-4-propan-2-yloxyhexan-2-one
CID 134971286
(3S)-6-hydroxy-3-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxy]oxonan-4-one
CID 135036960
4-(6-Carboxyhexyl)-2,2-dimethyl-5-oxo-1,3-dioxolane
CID 12760709
[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] decanoate
CID 18444066
10-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-10-(4-hydroxy-5-pentyloxolan-2-yl)decan-2-one
CID 59475980
(3S,4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypentan-2-one
CID 59885962
[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] decanoate
CID 66838115

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one?
The IUPAC name of 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one (CID 14258224) is 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one.
What is the SMILES notation for 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one?
The canonical SMILES for 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one is CCC(=O)C(O)CCCC1(C)OCCO1.
What is the InChIKey of 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one?
The InChIKey is VLOKLUPWVNRNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-9(12)10(13)5-4-6-11(2)14-7-8-15-11/h10,13H,3-8H2,1-2H3.
What are the key properties of 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one?
4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one has a molecular weight of 216.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one is sourced from PubChem (CID 14258224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).