ethane;methoxymethane;prop-1-en-2-ylbenzene

C13H22O — CID 160714954

IUPACethane;methoxymethane;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.CC.COC
InChIInChI=1S/C9H10.C2H6O.C2H6/c1-8(2)9-6-4-3-5-7-9;1-3-2;1-2/h3-7H,1H2,2H3;1-2H3;1-2H3
InChIKeyRSIROSIUUYWZBA-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.01
Rot. Bonds1

About ethane;methoxymethane;prop-1-en-2-ylbenzene

ethane;methoxymethane;prop-1-en-2-ylbenzene (PubChem CID 160714954) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;methoxymethane;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane;methoxymethane;prop-1-en-2-ylbenzene
PubChem CID160714954
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nameethane;methoxymethane;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.CC.COC
InChIInChI=1S/C9H10.C2H6O.C2H6/c1-8(2)9-6-4-3-5-7-9;1-3-2;1-2/h3-7H,1H2,2H3;1-2H3;1-2H3
InChIKeyRSIROSIUUYWZBA-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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methane;propane;prop-1-en-2-ylbenzene
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methylimino(oxo)methane;prop-1-en-2-ylbenzene
CID 157367451
methyl prop-2-enoate;prop-1-en-2-ylbenzene
CID 18185793
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
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Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;prop-1-en-2-ylbenzene?
The IUPAC name of ethane;methoxymethane;prop-1-en-2-ylbenzene (CID 160714954) is ethane;methoxymethane;prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane;methoxymethane;prop-1-en-2-ylbenzene?
The canonical SMILES for ethane;methoxymethane;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.CC.COC.
What is the InChIKey of ethane;methoxymethane;prop-1-en-2-ylbenzene?
The InChIKey is RSIROSIUUYWZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C2H6O.C2H6/c1-8(2)9-6-4-3-5-7-9;1-3-2;1-2/h3-7H,1H2,2H3;1-2H3;1-2H3.
What are the key properties of ethane;methoxymethane;prop-1-en-2-ylbenzene?
ethane;methoxymethane;prop-1-en-2-ylbenzene has a molecular weight of 194.32 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;prop-1-en-2-ylbenzene is sourced from PubChem (CID 160714954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).