5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran

C18H26O — CID 118358949

IUPAC5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran
SMILESCCCC1=COC(Cc2ccc(C)c(C)c2C)CC1
InChIInChI=1S/C18H26O/c1-5-6-16-8-10-18(19-12-16)11-17-9-7-13(2)14(3)15(17)4/h7,9,12,18H,5-6,8,10-11H2,1-4H3
InChIKeyDETMYGOEMZADEO-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.02
Rot. Bonds4

About 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran

5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran (PubChem CID 118358949) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran
PubChem CID118358949
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran
SMILESCCCC1=COC(Cc2ccc(C)c(C)c2C)CC1
InChIInChI=1S/C18H26O/c1-5-6-16-8-10-18(19-12-16)11-17-9-7-13(2)14(3)15(17)4/h7,9,12,18H,5-6,8,10-11H2,1-4H3
InChIKeyDETMYGOEMZADEO-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran (CID 118358949) is 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran is CCCC1=COC(Cc2ccc(C)c(C)c2C)CC1.
What is the InChIKey of 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran?
The InChIKey is DETMYGOEMZADEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-5-6-16-8-10-18(19-12-16)11-17-9-7-13(2)14(3)15(17)4/h7,9,12,18H,5-6,8,10-11H2,1-4H3.
What are the key properties of 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran?
5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran has a molecular weight of 258.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118358949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).