ethylbenzene;3-methyl-1-(3-methylbutoxy)butane

C18H32O — CID 67286495

IUPACethylbenzene;3-methyl-1-(3-methylbutoxy)butane
SMILESCC(C)CCOCCC(C)C.CCc1ccccc1
InChIInChI=1S/C10H22O.C8H10/c1-9(2)5-7-11-8-6-10(3)4;1-2-8-6-4-3-5-7-8/h9-10H,5-8H2,1-4H3;3-7H,2H2,1H3
InChIKeyXFGQEEOXQHCPTL-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.34
Rot. Bonds7

About ethylbenzene;3-methyl-1-(3-methylbutoxy)butane

ethylbenzene;3-methyl-1-(3-methylbutoxy)butane (PubChem CID 67286495) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is ethylbenzene;3-methyl-1-(3-methylbutoxy)butane.

Molecular Properties

Compound Nameethylbenzene;3-methyl-1-(3-methylbutoxy)butane
PubChem CID67286495
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Nameethylbenzene;3-methyl-1-(3-methylbutoxy)butane
SMILESCC(C)CCOCCC(C)C.CCc1ccccc1
InChIInChI=1S/C10H22O.C8H10/c1-9(2)5-7-11-8-6-10(3)4;1-2-8-6-4-3-5-7-8/h9-10H,5-8H2,1-4H3;3-7H,2H2,1H3
InChIKeyXFGQEEOXQHCPTL-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
CID 175265120
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
ethylcyclodecapentaene
CID 90861705
carbanide;ethylbenzene;2-methylpropane;ruthenium(2+)
CID 167712241
2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine
CID 114992850
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2-(3-methylbutoxy)ethyl benzoate
CID 140608731
chloro hypochlorite;ethylbenzene
CID 159036080
ethane;ethylbenzene;methoxymethane
CID 91307642

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;3-methyl-1-(3-methylbutoxy)butane?
The IUPAC name of ethylbenzene;3-methyl-1-(3-methylbutoxy)butane (CID 67286495) is ethylbenzene;3-methyl-1-(3-methylbutoxy)butane.
What is the SMILES notation for ethylbenzene;3-methyl-1-(3-methylbutoxy)butane?
The canonical SMILES for ethylbenzene;3-methyl-1-(3-methylbutoxy)butane is CC(C)CCOCCC(C)C.CCc1ccccc1.
What is the InChIKey of ethylbenzene;3-methyl-1-(3-methylbutoxy)butane?
The InChIKey is XFGQEEOXQHCPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C8H10/c1-9(2)5-7-11-8-6-10(3)4;1-2-8-6-4-3-5-7-8/h9-10H,5-8H2,1-4H3;3-7H,2H2,1H3.
What are the key properties of ethylbenzene;3-methyl-1-(3-methylbutoxy)butane?
ethylbenzene;3-methyl-1-(3-methylbutoxy)butane has a molecular weight of 264.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;3-methyl-1-(3-methylbutoxy)butane is sourced from PubChem (CID 67286495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).