(3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde

C9H14O2 — CID 102109582

IUPAC(3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde
SMILESC=C(C)[C@@H]1COCC[C@H]1C=O
InChIInChI=1S/C9H14O2/c1-7(2)9-6-11-4-3-8(9)5-10/h5,8-9H,1,3-4,6H2,2H3/t8-,9-/m0/s1
InChIKeyJOXCACISYTWBKQ-IUCAKERBSA-N
MW154.21 g/mol
LogP1.41
Rot. Bonds2

About (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde

(3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde (PubChem CID 102109582) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde.

Molecular Properties

Compound Name(3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde
PubChem CID102109582
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde
SMILESC=C(C)[C@@H]1COCC[C@H]1C=O
InChIInChI=1S/C9H14O2/c1-7(2)9-6-11-4-3-8(9)5-10/h5,8-9H,1,3-4,6H2,2H3/t8-,9-/m0/s1
InChIKeyJOXCACISYTWBKQ-IUCAKERBSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R,4R)-4-prop-1-en-2-yloxolan-3-yl]acetaldehyde
CID 101580037
(3S,4R)-3-ethenyloxane-4-carbaldehyde
CID 134944123
2-(Oxan-3-yl)prop-2-enal
CID 117266768
(2S)-2-methyl-4-methylideneoxane-3-carbaldehyde
CID 142879078
2-(2-Ethoxyethyl)-4-methylpent-4-enal
CID 175400415
2-(Oxan-4-ylmethyl)prop-2-enal
CID 117266761
3-(Oxan-4-yl)but-3-enal
CID 117268290
2-(4-Prop-1-en-2-yloxolan-3-yl)acetaldehyde
CID 130036011
4-(2-Methylprop-2-en-1-yl)oxane-4-carbaldehyde
CID 130654952
4-(Pent-4-en-2-yl)oxane-4-carbaldehyde
CID 165735657

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde?
The IUPAC name of (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde (CID 102109582) is (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde.
What is the SMILES notation for (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde?
The canonical SMILES for (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde is C=C(C)[C@@H]1COCC[C@H]1C=O.
What is the InChIKey of (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde?
The InChIKey is JOXCACISYTWBKQ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)9-6-11-4-3-8(9)5-10/h5,8-9H,1,3-4,6H2,2H3/t8-,9-/m0/s1.
What are the key properties of (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde?
(3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde is sourced from PubChem (CID 102109582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).