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

C22H32O2 — CID 175265120

IUPAC3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
SMILESCC(C)CCOCCC(C)C.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C10H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)5-7-11-8-6-10(3)4/h1-10H;9-10H,5-8H2,1-4H3
InChIKeyQNFFUZTYAUPRKM-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.57
Rot. Bonds8

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

3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene (PubChem CID 175265120) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
PubChem CID175265120
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
SMILESCC(C)CCOCCC(C)C.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C10H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)5-7-11-8-6-10(3)4/h1-10H;9-10H,5-8H2,1-4H3
InChIKeyQNFFUZTYAUPRKM-UHFFFAOYSA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutan-1-ol;phenoxybenzene
CID 175265119
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
ethylbenzene;3-methyl-1-(3-methylbutoxy)butane
CID 67286495
2-methylpropylalumane;phenoxybenzene
CID 175332476
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
3-methylbutoxy(phenoxy)phosphane
CID 175046720
2-(3-methylbutoxy)ethyl benzoate
CID 140608731
ethane;phenoxybenzene;propane
CID 90923491
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene?
The IUPAC name of 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene (CID 175265120) is 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene.
What is the SMILES notation for 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene?
The canonical SMILES for 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene is CC(C)CCOCCC(C)C.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene?
The InChIKey is QNFFUZTYAUPRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C10H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)5-7-11-8-6-10(3)4/h1-10H;9-10H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene?
3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene has a molecular weight of 328.50 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene is sourced from PubChem (CID 175265120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).