(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one

C10H16O3 — CID 142893830

IUPAC(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one
SMILESC=CCC1C(=O)O[C@H](C(C)C)C1O
InChIInChI=1S/C10H16O3/c1-4-5-7-8(11)9(6(2)3)13-10(7)12/h4,6-9,11H,1,5H2,2-3H3/t7?,8?,9-/m1/s1
InChIKeyGAOUPTFDAZXVSA-AMDVSUOASA-N
MW184.23 g/mol
LogP1.12
Rot. Bonds3

About (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one

(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one (PubChem CID 142893830) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one
PubChem CID142893830
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one
SMILESC=CCC1C(=O)O[C@H](C(C)C)C1O
InChIInChI=1S/C10H16O3/c1-4-5-7-8(11)9(6(2)3)13-10(7)12/h4,6-9,11H,1,5H2,2-3H3/t7?,8?,9-/m1/s1
InChIKeyGAOUPTFDAZXVSA-AMDVSUOASA-N
XLogP1.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.12
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

(3S,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]-3-(2,2,2-trifluoroethyl)oxolan-2-one
CID 72547437
(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one
CID 92979432
(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
CID 58012719
5-hydroxy-3-methyl-6-propan-2-yl-1,4-dioxan-2-one
CID 135159867
(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one
CID 163073070
4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14023307
4-(1-hydroxyethyl)-3-propyloxetan-2-one
CID 139924529
(3S,4R,5R)-3,4-dimethyl-5-propan-2-yloxolan-2-one
CID 45096004
4-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-one
CID 13237842
(2S,3R,3aR,6S,6aS)-3,6-dihydroxy-2-propan-2-yl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 59762552
1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione
CID 155096687
4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one
CID 162926023

Frequently Asked Questions

What is the IUPAC name of (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one?
The IUPAC name of (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one (CID 142893830) is (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one.
What is the SMILES notation for (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one?
The canonical SMILES for (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one is C=CCC1C(=O)O[C@H](C(C)C)C1O.
What is the InChIKey of (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one?
The InChIKey is GAOUPTFDAZXVSA-AMDVSUOASA-N. The full InChI is InChI=1S/C10H16O3/c1-4-5-7-8(11)9(6(2)3)13-10(7)12/h4,6-9,11H,1,5H2,2-3H3/t7?,8?,9-/m1/s1.
What are the key properties of (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one?
(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one is sourced from PubChem (CID 142893830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).