(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one

C9H14O3 — CID 130709259

IUPAC(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one
SMILESC=C(C)C(O)[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C9H14O3/c1-6(2)8(11)9(3)5-4-7(10)12-9/h8,11H,1,4-5H2,2-3H3/t8?,9-/m1/s1
InChIKeySJJNXMYIDMUSAU-YGPZHTELSA-N
MW170.21 g/mol
LogP1.02
Rot. Bonds2

About (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one

(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one (PubChem CID 130709259) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one
PubChem CID130709259
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one
SMILESC=C(C)C(O)[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C9H14O3/c1-6(2)8(11)9(3)5-4-7(10)12-9/h8,11H,1,4-5H2,2-3H3/t8?,9-/m1/s1
InChIKeySJJNXMYIDMUSAU-YGPZHTELSA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(1-bromoethyl)-5-methyloxolan-2-one
CID 130020859
(2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 142093790
2-(1-hydroxyethenyl)-2-methyl-1,3-dioxepane-4,7-dione
CID 142771087
5-(2-hydroxy-4-methylpent-3-enyl)-5-methyloxolan-2-one
CID 77139226
5-iodo-5-methyloxolan-2-one
CID 129281770
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one
CID 10560652
4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 89419588
(2-methyl-5-oxooxolan-2-yl) prop-2-enoate
CID 67204162
(5S)-5-[(2R,5R)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-methyloxolan-2-one
CID 10999191
(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
CID 101145323
5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one
CID 174285026
5-[(E)-3,3-dimethylbut-1-enyl]-5-methyloxolan-2-one
CID 146344730

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one?
The IUPAC name of (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one (CID 130709259) is (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one.
What is the SMILES notation for (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one?
The canonical SMILES for (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one is C=C(C)C(O)[C@@]1(C)CCC(=O)O1.
What is the InChIKey of (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one?
The InChIKey is SJJNXMYIDMUSAU-YGPZHTELSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)8(11)9(3)5-4-7(10)12-9/h8,11H,1,4-5H2,2-3H3/t8?,9-/m1/s1.
What are the key properties of (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one?
(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one is sourced from PubChem (CID 130709259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).