2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran

C15H24O3 — CID 88666939

IUPAC2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran
SMILESC1=COCCC1.CCC1=COC(C=O)(CC)CC1
InChIInChI=1S/C10H16O2.C5H8O/c1-3-9-5-6-10(4-2,8-11)12-7-9;1-2-4-6-5-3-1/h7-8H,3-6H2,1-2H3;2,4H,1,3,5H2
InChIKeyBVUXVVCXSUGCDY-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.75
Rot. Bonds3

About 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran

2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran (PubChem CID 88666939) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran
PubChem CID88666939
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran
SMILESC1=COCCC1.CCC1=COC(C=O)(CC)CC1
InChIInChI=1S/C10H16O2.C5H8O/c1-3-9-5-6-10(4-2,8-11)12-7-9;1-2-4-6-5-3-1/h7-8H,3-6H2,1-2H3;2,4H,1,3,5H2
InChIKeyBVUXVVCXSUGCDY-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran?
The IUPAC name of 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran (CID 88666939) is 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran.
What is the SMILES notation for 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran?
The canonical SMILES for 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran is C1=COCCC1.CCC1=COC(C=O)(CC)CC1.
What is the InChIKey of 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran?
The InChIKey is BVUXVVCXSUGCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C5H8O/c1-3-9-5-6-10(4-2,8-11)12-7-9;1-2-4-6-5-3-1/h7-8H,3-6H2,1-2H3;2,4H,1,3,5H2.
What are the key properties of 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran?
2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran has a molecular weight of 252.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran is sourced from PubChem (CID 88666939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).