ethane;3-methyl-2-methylideneoxane

C13H30O — CID 91208000

IUPACethane;3-methyl-2-methylideneoxane
SMILESC=C1OCCCC1C.CC.CC.CC
InChIInChI=1S/C7H12O.3C2H6/c1-6-4-3-5-8-7(6)2;3*1-2/h6H,2-5H2,1H3;3*1-2H3
InChIKeyVUQYPHWJXILKBS-UHFFFAOYSA-N
MW202.38 g/mol
LogP5.03
Rot. Bonds

About ethane;3-methyl-2-methylideneoxane

ethane;3-methyl-2-methylideneoxane (PubChem CID 91208000) has the molecular formula C13H30O and a molecular weight of 202.38 g/mol. Its IUPAC name is ethane;3-methyl-2-methylideneoxane.

Molecular Properties

Compound Nameethane;3-methyl-2-methylideneoxane
PubChem CID91208000
Molecular FormulaC13H30O
Molecular Weight202.38 g/mol
Exact Mass202.23
IUPAC Nameethane;3-methyl-2-methylideneoxane
SMILESC=C1OCCCC1C.CC.CC.CC
InChIInChI=1S/C7H12O.3C2H6/c1-6-4-3-5-8-7(6)2;3*1-2/h6H,2-5H2,1H3;3*1-2H3
InChIKeyVUQYPHWJXILKBS-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-methylideneoxane?
The IUPAC name of ethane;3-methyl-2-methylideneoxane (CID 91208000) is ethane;3-methyl-2-methylideneoxane.
What is the SMILES notation for ethane;3-methyl-2-methylideneoxane?
The canonical SMILES for ethane;3-methyl-2-methylideneoxane is C=C1OCCCC1C.CC.CC.CC.
What is the InChIKey of ethane;3-methyl-2-methylideneoxane?
The InChIKey is VUQYPHWJXILKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.3C2H6/c1-6-4-3-5-8-7(6)2;3*1-2/h6H,2-5H2,1H3;3*1-2H3.
What are the key properties of ethane;3-methyl-2-methylideneoxane?
ethane;3-methyl-2-methylideneoxane has a molecular weight of 202.38 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-methylideneoxane is sourced from PubChem (CID 91208000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).