ethane;methoxymethylbenzene;propane

C13H24O — CID 144561349

IUPACethane;methoxymethylbenzene;propane
SMILESCC.CCC.COCc1ccccc1
InChIInChI=1S/C8H10O.C3H8.C2H6/c1-9-7-8-5-3-2-4-6-8;1-3-2;1-2/h2-6H,7H2,1H3;3H2,1-2H3;1-2H3
InChIKeyRPECZWQYQBTZBO-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.28
Rot. Bonds2

About ethane;methoxymethylbenzene;propane

ethane;methoxymethylbenzene;propane (PubChem CID 144561349) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is ethane;methoxymethylbenzene;propane.

Molecular Properties

Compound Nameethane;methoxymethylbenzene;propane
PubChem CID144561349
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nameethane;methoxymethylbenzene;propane
SMILESCC.CCC.COCc1ccccc1
InChIInChI=1S/C8H10O.C3H8.C2H6/c1-9-7-8-5-3-2-4-6-8;1-3-2;1-2/h2-6H,7H2,1H3;3H2,1-2H3;1-2H3
InChIKeyRPECZWQYQBTZBO-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(methoxymethyl)-4-phenylbenzene
CID 14906855
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Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethylbenzene;propane?
The IUPAC name of ethane;methoxymethylbenzene;propane (CID 144561349) is ethane;methoxymethylbenzene;propane.
What is the SMILES notation for ethane;methoxymethylbenzene;propane?
The canonical SMILES for ethane;methoxymethylbenzene;propane is CC.CCC.COCc1ccccc1.
What is the InChIKey of ethane;methoxymethylbenzene;propane?
The InChIKey is RPECZWQYQBTZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H8.C2H6/c1-9-7-8-5-3-2-4-6-8;1-3-2;1-2/h2-6H,7H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;methoxymethylbenzene;propane?
ethane;methoxymethylbenzene;propane has a molecular weight of 196.33 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethylbenzene;propane is sourced from PubChem (CID 144561349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).