4-hexan-3-yl-2,4,6-trimethylpyran

C14H24O — CID 123136304

IUPAC4-hexan-3-yl-2,4,6-trimethylpyran
SMILESCCCC(CC)C1(C)C=C(C)OC(C)=C1
InChIInChI=1S/C14H24O/c1-6-8-13(7-2)14(5)9-11(3)15-12(4)10-14/h9-10,13H,6-8H2,1-5H3
InChIKeyJQEAWJLMNUGOJS-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.66
Rot. Bonds4

About 4-hexan-3-yl-2,4,6-trimethylpyran

4-hexan-3-yl-2,4,6-trimethylpyran (PubChem CID 123136304) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-hexan-3-yl-2,4,6-trimethylpyran.

Molecular Properties

Compound Name4-hexan-3-yl-2,4,6-trimethylpyran
PubChem CID123136304
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-hexan-3-yl-2,4,6-trimethylpyran
SMILESCCCC(CC)C1(C)C=C(C)OC(C)=C1
InChIInChI=1S/C14H24O/c1-6-8-13(7-2)14(5)9-11(3)15-12(4)10-14/h9-10,13H,6-8H2,1-5H3
InChIKeyJQEAWJLMNUGOJS-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-yl-2,4,6-trimethylpyran?
The IUPAC name of 4-hexan-3-yl-2,4,6-trimethylpyran (CID 123136304) is 4-hexan-3-yl-2,4,6-trimethylpyran.
What is the SMILES notation for 4-hexan-3-yl-2,4,6-trimethylpyran?
The canonical SMILES for 4-hexan-3-yl-2,4,6-trimethylpyran is CCCC(CC)C1(C)C=C(C)OC(C)=C1.
What is the InChIKey of 4-hexan-3-yl-2,4,6-trimethylpyran?
The InChIKey is JQEAWJLMNUGOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-6-8-13(7-2)14(5)9-11(3)15-12(4)10-14/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 4-hexan-3-yl-2,4,6-trimethylpyran?
4-hexan-3-yl-2,4,6-trimethylpyran has a molecular weight of 208.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-yl-2,4,6-trimethylpyran is sourced from PubChem (CID 123136304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).