2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran

C14H22O2 — CID 122444626

IUPAC2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran
SMILESCCC(C)(C1CCC=CO1)C1CCC=CO1
InChIInChI=1S/C14H22O2/c1-3-14(2,12-8-4-6-10-15-12)13-9-5-7-11-16-13/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyBWTYLPVPVBVYKY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.79
Rot. Bonds3

About 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran

2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran (PubChem CID 122444626) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran
PubChem CID122444626
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran
SMILESCCC(C)(C1CCC=CO1)C1CCC=CO1
InChIInChI=1S/C14H22O2/c1-3-14(2,12-8-4-6-10-15-12)13-9-5-7-11-16-13/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyBWTYLPVPVBVYKY-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran?
The IUPAC name of 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran (CID 122444626) is 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran is CCC(C)(C1CCC=CO1)C1CCC=CO1.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran?
The InChIKey is BWTYLPVPVBVYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-14(2,12-8-4-6-10-15-12)13-9-5-7-11-16-13/h6-7,10-13H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran?
2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran has a molecular weight of 222.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 122444626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).