4,4-di(propan-2-yl)-2,3-dihydropyran

C11H20O — CID 58056047

IUPAC4,4-di(propan-2-yl)-2,3-dihydropyran
SMILESCC(C)C1(C(C)C)C=COCC1
InChIInChI=1S/C11H20O/c1-9(2)11(10(3)4)5-7-12-8-6-11/h5,7,9-10H,6,8H2,1-4H3
InChIKeyIZLWPFQZDVCPOH-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.22
Rot. Bonds2

About 4,4-di(propan-2-yl)-2,3-dihydropyran

4,4-di(propan-2-yl)-2,3-dihydropyran (PubChem CID 58056047) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,4-di(propan-2-yl)-2,3-dihydropyran.

Molecular Properties

Compound Name4,4-di(propan-2-yl)-2,3-dihydropyran
PubChem CID58056047
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,4-di(propan-2-yl)-2,3-dihydropyran
SMILESCC(C)C1(C(C)C)C=COCC1
InChIInChI=1S/C11H20O/c1-9(2)11(10(3)4)5-7-12-8-6-11/h5,7,9-10H,6,8H2,1-4H3
InChIKeyIZLWPFQZDVCPOH-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(propan-2-yl)-2,3-dihydropyran?
The IUPAC name of 4,4-di(propan-2-yl)-2,3-dihydropyran (CID 58056047) is 4,4-di(propan-2-yl)-2,3-dihydropyran.
What is the SMILES notation for 4,4-di(propan-2-yl)-2,3-dihydropyran?
The canonical SMILES for 4,4-di(propan-2-yl)-2,3-dihydropyran is CC(C)C1(C(C)C)C=COCC1.
What is the InChIKey of 4,4-di(propan-2-yl)-2,3-dihydropyran?
The InChIKey is IZLWPFQZDVCPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)11(10(3)4)5-7-12-8-6-11/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 4,4-di(propan-2-yl)-2,3-dihydropyran?
4,4-di(propan-2-yl)-2,3-dihydropyran has a molecular weight of 168.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(propan-2-yl)-2,3-dihydropyran is sourced from PubChem (CID 58056047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).