ethane;1-ethenoxy-2,4-dimethylbenzene

C14H24O — CID 145162250

IUPACethane;1-ethenoxy-2,4-dimethylbenzene
SMILESC=COc1ccc(C)cc1C.CC.CC
InChIInChI=1S/C10H12O.2C2H6/c1-4-11-10-6-5-8(2)7-9(10)3;2*1-2/h4-7H,1H2,2-3H3;2*1-2H3
InChIKeyRVOYGJANLDEDRM-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.88
Rot. Bonds2

About ethane;1-ethenoxy-2,4-dimethylbenzene

ethane;1-ethenoxy-2,4-dimethylbenzene (PubChem CID 145162250) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is ethane;1-ethenoxy-2,4-dimethylbenzene.

Molecular Properties

Compound Nameethane;1-ethenoxy-2,4-dimethylbenzene
PubChem CID145162250
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nameethane;1-ethenoxy-2,4-dimethylbenzene
SMILESC=COc1ccc(C)cc1C.CC.CC
InChIInChI=1S/C10H12O.2C2H6/c1-4-11-10-6-5-8(2)7-9(10)3;2*1-2/h4-7H,1H2,2-3H3;2*1-2H3
InChIKeyRVOYGJANLDEDRM-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
(1E)-2-(2,4-dimethylphenoxy)buta-1,3-dien-1-amine;ethane
CID 169209283
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene
CID 143283214
1-[[4-[bis(4-ethenoxy-2,5-dimethylphenyl)methyl]phenyl]-(4-ethenoxy-2,5-dimethylphenyl)methyl]-4-ethenoxy-2,5-dimethylbenzene
CID 21365402
1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene
CID 155580233
1-ethenyl-2,4-dimethylbenzene
CID 157285903
bis(2,4-dimethylphenoxy)methanethione
CID 134916963
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenoxy-2,4-dimethylbenzene?
The IUPAC name of ethane;1-ethenoxy-2,4-dimethylbenzene (CID 145162250) is ethane;1-ethenoxy-2,4-dimethylbenzene.
What is the SMILES notation for ethane;1-ethenoxy-2,4-dimethylbenzene?
The canonical SMILES for ethane;1-ethenoxy-2,4-dimethylbenzene is C=COc1ccc(C)cc1C.CC.CC.
What is the InChIKey of ethane;1-ethenoxy-2,4-dimethylbenzene?
The InChIKey is RVOYGJANLDEDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.2C2H6/c1-4-11-10-6-5-8(2)7-9(10)3;2*1-2/h4-7H,1H2,2-3H3;2*1-2H3.
What are the key properties of ethane;1-ethenoxy-2,4-dimethylbenzene?
ethane;1-ethenoxy-2,4-dimethylbenzene has a molecular weight of 208.34 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenoxy-2,4-dimethylbenzene is sourced from PubChem (CID 145162250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).