3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran

C12H22O — CID 59169071

IUPAC3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=C(CC)CC(CC)CO1
InChIInChI=1S/C12H22O/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h10H,4-9H2,1-3H3
InChIKeyDNJLBHJWLFHSBQ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.90
Rot. Bonds4

About 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran

3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran (PubChem CID 59169071) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran
PubChem CID59169071
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=C(CC)CC(CC)CO1
InChIInChI=1S/C12H22O/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h10H,4-9H2,1-3H3
InChIKeyDNJLBHJWLFHSBQ-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran (CID 59169071) is 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran is CCCC1=C(CC)CC(CC)CO1.
What is the InChIKey of 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran?
The InChIKey is DNJLBHJWLFHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h10H,4-9H2,1-3H3.
What are the key properties of 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran?
3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran has a molecular weight of 182.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 59169071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).