3,3-dimethyl-2,4-dihydropyran;ethane

C9H18O — CID 142157770

IUPAC3,3-dimethyl-2,4-dihydropyran;ethane
SMILESCC.CC1(C)CC=COC1
InChIInChI=1S/C7H12O.C2H6/c1-7(2)4-3-5-8-6-7;1-2/h3,5H,4,6H2,1-2H3;1-2H3
InChIKeyQMQTUILSNSYKNQ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds

About 3,3-dimethyl-2,4-dihydropyran;ethane

3,3-dimethyl-2,4-dihydropyran;ethane (PubChem CID 142157770) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydropyran;ethane.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydropyran;ethane
PubChem CID142157770
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,3-dimethyl-2,4-dihydropyran;ethane
SMILESCC.CC1(C)CC=COC1
InChIInChI=1S/C7H12O.C2H6/c1-7(2)4-3-5-8-6-7;1-2/h3,5H,4,6H2,1-2H3;1-2H3
InChIKeyQMQTUILSNSYKNQ-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydropyran;ethane?
The IUPAC name of 3,3-dimethyl-2,4-dihydropyran;ethane (CID 142157770) is 3,3-dimethyl-2,4-dihydropyran;ethane.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydropyran;ethane?
The canonical SMILES for 3,3-dimethyl-2,4-dihydropyran;ethane is CC.CC1(C)CC=COC1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydropyran;ethane?
The InChIKey is QMQTUILSNSYKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-7(2)4-3-5-8-6-7;1-2/h3,5H,4,6H2,1-2H3;1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydropyran;ethane?
3,3-dimethyl-2,4-dihydropyran;ethane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydropyran;ethane is sourced from PubChem (CID 142157770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).