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

C8H12O2 — CID 102109584

IUPAC(3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde
SMILESC=C(C)[C@@H]1COC[C@H]1C=O
InChIInChI=1S/C8H12O2/c1-6(2)8-5-10-4-7(8)3-9/h3,7-8H,1,4-5H2,2H3/t7-,8+/m1/s1
InChIKeySFLMYPKSWSYWGZ-SFYZADRCSA-N
MW140.18 g/mol
LogP1.02
Rot. Bonds2

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

(3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde (PubChem CID 102109584) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde.

Molecular Properties

Compound Name(3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde
PubChem CID102109584
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde
SMILESC=C(C)[C@@H]1COC[C@H]1C=O
InChIInChI=1S/C8H12O2/c1-6(2)8-5-10-4-7(8)3-9/h3,7-8H,1,4-5H2,2H3/t7-,8+/m1/s1
InChIKeySFLMYPKSWSYWGZ-SFYZADRCSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.02
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
2-[(3R,4S)-3-methyl-4-prop-1-en-2-yloxolan-3-yl]acetaldehyde
CID 134965594
3-Methyl-4-(prop-1-en-2-yl)oxolan-2-one
CID 71372899
Ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone
CID 145266085
(3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one
CID 10510939
(3S,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one
CID 10582865
(3R,4S)-3-methyl-4-prop-1-en-2-yloxolan-2-one
CID 21578284
(3S,4S)-3-methyl-4-prop-1-en-2-yloxolan-2-one
CID 21578285
3-(But-3-en-2-yl)oxolane-3-carbaldehyde
CID 126989641
2-(4-Prop-1-en-2-yloxolan-3-yl)acetaldehyde
CID 130036011
2-[(3S,4R)-3-methyl-4-prop-1-en-2-yloxolan-3-yl]acetaldehyde
CID 130972098
3-(2-Methylprop-2-en-1-yl)oxolane-3-carbaldehyde
CID 131113947

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde?
The IUPAC name of (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde (CID 102109584) is (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde.
What is the SMILES notation for (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde?
The canonical SMILES for (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde is C=C(C)[C@@H]1COC[C@H]1C=O.
What is the InChIKey of (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde?
The InChIKey is SFLMYPKSWSYWGZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)8-5-10-4-7(8)3-9/h3,7-8H,1,4-5H2,2H3/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde?
(3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde is sourced from PubChem (CID 102109584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).