(Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal

C10H16O3 — CID 158979040

IUPAC(Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal
SMILESCC(C)C1[C@H](O)CO[C@@H]1/C=C\C=O
InChIInChI=1S/C10H16O3/c1-7(2)10-8(12)6-13-9(10)4-3-5-11/h3-5,7-10,12H,6H2,1-2H3/b4-3-/t8-,9-,10?/m1/s1
InChIKeyMXTCNHZPUTYVKU-OSAKBECASA-N
MW184.23 g/mol
LogP0.77
Rot. Bonds3

About (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal

(Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal (PubChem CID 158979040) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal
PubChem CID158979040
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal
SMILESCC(C)C1[C@H](O)CO[C@@H]1/C=C\C=O
InChIInChI=1S/C10H16O3/c1-7(2)10-8(12)6-13-9(10)4-3-5-11/h3-5,7-10,12H,6H2,1-2H3/b4-3-/t8-,9-,10?/m1/s1
InChIKeyMXTCNHZPUTYVKU-OSAKBECASA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde
CID 165359373
(1S,4S,5R)-7,8-di(propan-2-yl)-2-oxa-6-azabicyclo[3.3.1]nonan-4-ol
CID 140812345
[(2S,3S,4R,5R)-3-acetyloxy-2-formyl-5-hydroxyoxan-4-yl] acetate
CID 134882458
(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 169116609
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478
(2S,3R,4S,5R)-2-(2-methylpropyl)oxane-3,4,5-triol
CID 70507894
4-methyl-2-propan-2-yloxane-3,5-diol
CID 76796357
5-methyl-6-propan-2-yloxane-3,4-diol
CID 118603929
5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol
CID 162962656
2-propan-2-yl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 171620800
(E)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]prop-2-enal
CID 131236652
(E)-3-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enal
CID 11053006

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal?
The IUPAC name of (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal (CID 158979040) is (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal.
What is the SMILES notation for (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal?
The canonical SMILES for (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal is CC(C)C1[C@H](O)CO[C@@H]1/C=C\C=O.
What is the InChIKey of (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal?
The InChIKey is MXTCNHZPUTYVKU-OSAKBECASA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)10-8(12)6-13-9(10)4-3-5-11/h3-5,7-10,12H,6H2,1-2H3/b4-3-/t8-,9-,10?/m1/s1.
What are the key properties of (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal?
(Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal has a molecular weight of 184.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2R,4S)-4-hydroxy-3-propan-2-yloxolan-2-yl]prop-2-enal is sourced from PubChem (CID 158979040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).