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

C12H22O — CID 134995841

IUPAC2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran
SMILESCC1=CC(C)(CC(C)C)OC(C)C1
InChIInChI=1S/C12H22O/c1-9(2)7-12(5)8-10(3)6-11(4)13-12/h8-9,11H,6-7H2,1-5H3
InChIKeyZKPJXOBFMSYDBT-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds2

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

2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran (PubChem CID 134995841) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran.

Molecular Properties

Compound Name2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran
PubChem CID134995841
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran
SMILESCC1=CC(C)(CC(C)C)OC(C)C1
InChIInChI=1S/C12H22O/c1-9(2)7-12(5)8-10(3)6-11(4)13-12/h8-9,11H,6-7H2,1-5H3
InChIKeyZKPJXOBFMSYDBT-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Rose oxide
CID 27866
(+-)-Nerol oxide
CID 61275
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
Ethyl linalyl ether
CID 175211
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
E-Ocimene oxide
CID 6429141
Epoxycimene
CID 11228905
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
3,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108400

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran?
The IUPAC name of 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran (CID 134995841) is 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran.
What is the SMILES notation for 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran?
The canonical SMILES for 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran is CC1=CC(C)(CC(C)C)OC(C)C1.
What is the InChIKey of 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran?
The InChIKey is ZKPJXOBFMSYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)7-12(5)8-10(3)6-11(4)13-12/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran?
2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran has a molecular weight of 182.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-6-(2-methylpropyl)-2,3-dihydropyran is sourced from PubChem (CID 134995841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).