5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran

C14H22O — CID 91512220

IUPAC5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran
SMILESC=CC1=C(C(=C)C(C)C)OC(C)(C)CC1
InChIInChI=1S/C14H22O/c1-7-12-8-9-14(5,6)15-13(12)11(4)10(2)3/h7,10H,1,4,8-9H2,2-3,5-6H3
InChIKeyJZKHMJORMVHPPX-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.23
Rot. Bonds3

About 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran

5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran (PubChem CID 91512220) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran.

Molecular Properties

Compound Name5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran
PubChem CID91512220
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran
SMILESC=CC1=C(C(=C)C(C)C)OC(C)(C)CC1
InChIInChI=1S/C14H22O/c1-7-12-8-9-14(5,6)15-13(12)11(4)10(2)3/h7,10H,1,4,8-9H2,2-3,5-6H3
InChIKeyJZKHMJORMVHPPX-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran?
The IUPAC name of 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran (CID 91512220) is 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran.
What is the SMILES notation for 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran?
The canonical SMILES for 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran is C=CC1=C(C(=C)C(C)C)OC(C)(C)CC1.
What is the InChIKey of 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran?
The InChIKey is JZKHMJORMVHPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-7-12-8-9-14(5,6)15-13(12)11(4)10(2)3/h7,10H,1,4,8-9H2,2-3,5-6H3.
What are the key properties of 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran?
5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran has a molecular weight of 206.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,2-dimethyl-6-(3-methylbut-1-en-2-yl)-3,4-dihydropyran is sourced from PubChem (CID 91512220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).