2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde

C11H18O2 — CID 175346648

IUPAC2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde
SMILESCCCCCC1CC=CC(C=O)O1
InChIInChI=1S/C11H18O2/c1-2-3-4-6-10-7-5-8-11(9-12)13-10/h5,8-11H,2-4,6-7H2,1H3
InChIKeySXVSENHWFGIKCT-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds5

About 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde

2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde (PubChem CID 175346648) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde.

Molecular Properties

Compound Name2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde
PubChem CID175346648
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde
SMILESCCCCCC1CC=CC(C=O)O1
InChIInChI=1S/C11H18O2/c1-2-3-4-6-10-7-5-8-11(9-12)13-10/h5,8-11H,2-4,6-7H2,1H3
InChIKeySXVSENHWFGIKCT-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde?
The IUPAC name of 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde (CID 175346648) is 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde.
What is the SMILES notation for 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde?
The canonical SMILES for 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde is CCCCCC1CC=CC(C=O)O1.
What is the InChIKey of 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde?
The InChIKey is SXVSENHWFGIKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-6-10-7-5-8-11(9-12)13-10/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde?
2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3,6-dihydro-2H-pyran-6-carbaldehyde is sourced from PubChem (CID 175346648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).