cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde

C14H22O3 — CID 166524592

IUPACcis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@@H]1C/C=C\CCOC1CCCCO1
InChIInChI=1S/C14H22O3/c15-11-13-10-12(13)6-2-1-4-8-16-14-7-3-5-9-17-14/h1-2,11-14H,3-10H2/b2-1-/t12-,13-,14?/m0/s1
InChIKeyZVTKPHTUKFZRBB-AQFVUTTASA-N
MW238.33 g/mol
LogP2.70
Rot. Bonds7

About cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde

cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde (PubChem CID 166524592) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde
PubChem CID166524592
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namecis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@@H]1C/C=C\CCOC1CCCCO1
InChIInChI=1S/C14H22O3/c15-11-13-10-12(13)6-2-1-4-8-16-14-7-3-5-9-17-14/h1-2,11-14H,3-10H2/b2-1-/t12-,13-,14?/m0/s1
InChIKeyZVTKPHTUKFZRBB-AQFVUTTASA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde (CID 166524592) is cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde is O=C[C@@H]1C[C@@H]1C/C=C\CCOC1CCCCO1.
What is the InChIKey of cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde?
The InChIKey is ZVTKPHTUKFZRBB-AQFVUTTASA-N. The full InChI is InChI=1S/C14H22O3/c15-11-13-10-12(13)6-2-1-4-8-16-14-7-3-5-9-17-14/h1-2,11-14H,3-10H2/b2-1-/t12-,13-,14?/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde?
cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde has a molecular weight of 238.33 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 166524592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).