2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran

C12H22O — CID 15382478

IUPAC2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran
SMILESCC1=C(CC(C)C)OC(C)(C)CC1
InChIInChI=1S/C12H22O/c1-9(2)8-11-10(3)6-7-12(4,5)13-11/h9H,6-8H2,1-5H3
InChIKeyGNJLEVFKZXTGOP-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.90
Rot. Bonds2

About 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran

2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran (PubChem CID 15382478) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran.

Molecular Properties

Compound Name2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran
PubChem CID15382478
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran
SMILESCC1=C(CC(C)C)OC(C)(C)CC1
InChIInChI=1S/C12H22O/c1-9(2)8-11-10(3)6-7-12(4,5)13-11/h9H,6-8H2,1-5H3
InChIKeyGNJLEVFKZXTGOP-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran?
The IUPAC name of 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran (CID 15382478) is 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran.
What is the SMILES notation for 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran?
The canonical SMILES for 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran is CC1=C(CC(C)C)OC(C)(C)CC1.
What is the InChIKey of 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran?
The InChIKey is GNJLEVFKZXTGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)8-11-10(3)6-7-12(4,5)13-11/h9H,6-8H2,1-5H3.
What are the key properties of 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran?
2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran has a molecular weight of 182.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-6-(2-methylpropyl)-3,4-dihydropyran is sourced from PubChem (CID 15382478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).