ethane;ethenoxymethylbenzene

C13H22O — CID 144676673

IUPACethane;ethenoxymethylbenzene
SMILESC=COCc1ccccc1.CC.CC
InChIInChI=1S/C9H10O.2C2H6/c1-2-10-8-9-6-4-3-5-7-9;2*1-2/h2-7H,1,8H2;2*1-2H3
InChIKeyJXXJUMNBAAZXHR-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.40
Rot. Bonds3

About ethane;ethenoxymethylbenzene

ethane;ethenoxymethylbenzene (PubChem CID 144676673) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;ethenoxymethylbenzene.

Molecular Properties

Compound Nameethane;ethenoxymethylbenzene
PubChem CID144676673
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nameethane;ethenoxymethylbenzene
SMILESC=COCc1ccccc1.CC.CC
InChIInChI=1S/C9H10O.2C2H6/c1-2-10-8-9-6-4-3-5-7-9;2*1-2/h2-7H,1,8H2;2*1-2H3
InChIKeyJXXJUMNBAAZXHR-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.40
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

ethenoxymethylbenzene
CID 11116115
ethenoxymethylbenzene;ethenyl acetate
CID 70503458
cyclohexylbenzene;ethenoxymethylbenzene
CID 161044898
[4-(ethenoxymethyl)phenyl]methyl benzoate
CID 139924856
[4-(ethenoxymethyl)phenyl]methyl formate
CID 139924907
ethane;phenylmethoxymethylbenzene
CID 90943549
ethane;methoxymethylbenzene;propane
CID 144561349
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
CID 122393351
benzyl 2-ethenoxyethyl carbonate
CID 19813780

Frequently Asked Questions

What is the IUPAC name of ethane;ethenoxymethylbenzene?
The IUPAC name of ethane;ethenoxymethylbenzene (CID 144676673) is ethane;ethenoxymethylbenzene.
What is the SMILES notation for ethane;ethenoxymethylbenzene?
The canonical SMILES for ethane;ethenoxymethylbenzene is C=COCc1ccccc1.CC.CC.
What is the InChIKey of ethane;ethenoxymethylbenzene?
The InChIKey is JXXJUMNBAAZXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.2C2H6/c1-2-10-8-9-6-4-3-5-7-9;2*1-2/h2-7H,1,8H2;2*1-2H3.
What are the key properties of ethane;ethenoxymethylbenzene?
ethane;ethenoxymethylbenzene has a molecular weight of 194.32 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenoxymethylbenzene is sourced from PubChem (CID 144676673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).