2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran

C11H20O — CID 154092606

IUPAC2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran
SMILESCC(C)(C)CC1(C)CCC=CO1
InChIInChI=1S/C11H20O/c1-10(2,3)9-11(4)7-5-6-8-12-11/h6,8H,5,7,9H2,1-4H3
InChIKeyUKNWTHMYAXMTFF-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran

2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran (PubChem CID 154092606) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran
PubChem CID154092606
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran
SMILESCC(C)(C)CC1(C)CCC=CO1
InChIInChI=1S/C11H20O/c1-10(2,3)9-11(4)7-5-6-8-12-11/h6,8H,5,7,9H2,1-4H3
InChIKeyUKNWTHMYAXMTFF-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methyl-3,4-dihydropyran-2-yl)methyl but-2-enoate
CID 54477396
(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
CID 121475933
tert-butyl-[(2-ethyl-3,4-dihydropyran-2-yl)methoxy]-dimethylsilane
CID 58063687
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(2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine
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2-(isocyanomethyl)-2-methyl-3H-furan
CID 53443619
1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane
CID 157115340
[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
CID 131048430
3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene
CID 173043089
2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine
CID 141239742
5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole
CID 146290036
1-(2,2-dimethylpropyl)cyclopropan-1-amine;hydrochloride
CID 51000356

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran (CID 154092606) is 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran is CC(C)(C)CC1(C)CCC=CO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran?
The InChIKey is UKNWTHMYAXMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)9-11(4)7-5-6-8-12-11/h6,8H,5,7,9H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran?
2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran has a molecular weight of 168.28 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran is sourced from PubChem (CID 154092606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).