5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde

C15H24O2 — CID 163630490

IUPAC5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde
SMILESC/C=C/C(/C=C\C1CCC(C=O)O1)CCCC
InChIInChI=1S/C15H24O2/c1-3-5-7-13(6-4-2)8-9-14-10-11-15(12-16)17-14/h4,6,8-9,12-15H,3,5,7,10-11H2,1-2H3/b6-4+,9-8-
InChIKeyHVQGDPPIGRJRBR-UFEJRDAESA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds7

About 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde

5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde (PubChem CID 163630490) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde
PubChem CID163630490
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde
SMILESC/C=C/C(/C=C\C1CCC(C=O)O1)CCCC
InChIInChI=1S/C15H24O2/c1-3-5-7-13(6-4-2)8-9-14-10-11-15(12-16)17-14/h4,6,8-9,12-15H,3,5,7,10-11H2,1-2H3/b6-4+,9-8-
InChIKeyHVQGDPPIGRJRBR-UFEJRDAESA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde?
The IUPAC name of 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde (CID 163630490) is 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde.
What is the SMILES notation for 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde?
The canonical SMILES for 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde is C/C=C/C(/C=C\C1CCC(C=O)O1)CCCC.
What is the InChIKey of 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde?
The InChIKey is HVQGDPPIGRJRBR-UFEJRDAESA-N. The full InChI is InChI=1S/C15H24O2/c1-3-5-7-13(6-4-2)8-9-14-10-11-15(12-16)17-14/h4,6,8-9,12-15H,3,5,7,10-11H2,1-2H3/b6-4+,9-8-.
What are the key properties of 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde?
5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde has a molecular weight of 236.35 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-[(E)-prop-1-enyl]hept-1-enyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 163630490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).