2,6-dimethyl-4,4-dipropylpyran

C13H22O — CID 134989762

IUPAC2,6-dimethyl-4,4-dipropylpyran
SMILESCCCC1(CCC)C=C(C)OC(C)=C1
InChIInChI=1S/C13H22O/c1-5-7-13(8-6-2)9-11(3)14-12(4)10-13/h9-10H,5-8H2,1-4H3
InChIKeyHJYGGJKANIDRQA-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.41
Rot. Bonds4

About 2,6-dimethyl-4,4-dipropylpyran

2,6-dimethyl-4,4-dipropylpyran (PubChem CID 134989762) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,6-dimethyl-4,4-dipropylpyran.

Molecular Properties

Compound Name2,6-dimethyl-4,4-dipropylpyran
PubChem CID134989762
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,6-dimethyl-4,4-dipropylpyran
SMILESCCCC1(CCC)C=C(C)OC(C)=C1
InChIInChI=1S/C13H22O/c1-5-7-13(8-6-2)9-11(3)14-12(4)10-13/h9-10H,5-8H2,1-4H3
InChIKeyHJYGGJKANIDRQA-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-4,4-dipropylpyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxy-4,4-dimethyl-cyclohex-1-ene
CID 558759
1-Methoxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,4-diene
CID 15790722
6-(3-Methoxybut-2-enyl)-1,5,5-trimethylcyclohexene
CID 57197989
6-(3-Ethoxybut-2-enyl)-1,5,5-trimethylcyclohexene
CID 57302463
1-Ethoxy-5,5-dimethylcyclohexene
CID 70074299
2-(cyclohexylmethylidene)-5-methyl-3H-furan
CID 91279478
4-Hexan-3-yl-2,4,6-trimethylpyran
CID 123136304
5-Ethyl-6-methoxy-2,3,3-trimethylhepta-1,5-diene
CID 123501889
1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium
CID 142005726
5,5-Dimethyl-1-pent-1-en-2-yloxycyclohexene
CID 142382632
2,2,4,4,6-pentamethyl-3H-pyran
CID 144730491
5-Ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene
CID 169101469

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,4-dipropylpyran?
The IUPAC name of 2,6-dimethyl-4,4-dipropylpyran (CID 134989762) is 2,6-dimethyl-4,4-dipropylpyran.
What is the SMILES notation for 2,6-dimethyl-4,4-dipropylpyran?
The canonical SMILES for 2,6-dimethyl-4,4-dipropylpyran is CCCC1(CCC)C=C(C)OC(C)=C1.
What is the InChIKey of 2,6-dimethyl-4,4-dipropylpyran?
The InChIKey is HJYGGJKANIDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-7-13(8-6-2)9-11(3)14-12(4)10-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,6-dimethyl-4,4-dipropylpyran?
2,6-dimethyl-4,4-dipropylpyran has a molecular weight of 194.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,4-dipropylpyran is sourced from PubChem (CID 134989762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).