4,4-dimethylpentoxybenzene;fluoromethane

C14H23FO — CID 158387745

IUPAC4,4-dimethylpentoxybenzene;fluoromethane
SMILESCC(C)(C)CCCOc1ccccc1.CF
InChIInChI=1S/C13H20O.CH3F/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12;1-2/h4-6,8-9H,7,10-11H2,1-3H3;1H3
InChIKeyGWOKNDAFURDWOI-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.48
Rot. Bonds4

About 4,4-dimethylpentoxybenzene;fluoromethane

4,4-dimethylpentoxybenzene;fluoromethane (PubChem CID 158387745) has the molecular formula C14H23FO and a molecular weight of 226.34 g/mol. Its IUPAC name is 4,4-dimethylpentoxybenzene;fluoromethane.

Molecular Properties

Compound Name4,4-dimethylpentoxybenzene;fluoromethane
PubChem CID158387745
Molecular FormulaC14H23FO
Molecular Weight226.34 g/mol
Exact Mass226.17
IUPAC Name4,4-dimethylpentoxybenzene;fluoromethane
SMILESCC(C)(C)CCCOc1ccccc1.CF
InChIInChI=1S/C13H20O.CH3F/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12;1-2/h4-6,8-9H,7,10-11H2,1-3H3;1H3
InChIKeyGWOKNDAFURDWOI-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.48
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

1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
CID 66992995
CID 66992995
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
[4-(bromomethyl)-4-methylhex-5-enoxy]benzene
CID 102642192
[4-(chloromethyl)-4-methylhex-5-enoxy]benzene
CID 102641999
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxybenzene
CID 86232636
3-[3-(4,4-dimethylpentoxy)phenyl]prop-2-yn-1-amine
CID 114210068
[5-hydroperoxy-5-[5-hydroperoxy-4,6-dimethyl-1,9-diphenoxy-4,6-bis(2-phenoxyethyl)nonan-5-yl]peroxy-4,6-dimethyl-9-phenoxy-4,6-bis(2-phenoxyethyl)nonoxy]benzene
CID 54208007
ethyl 2,2-difluoro-5-phenoxypentanoate
CID 163363293

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentoxybenzene;fluoromethane?
The IUPAC name of 4,4-dimethylpentoxybenzene;fluoromethane (CID 158387745) is 4,4-dimethylpentoxybenzene;fluoromethane.
What is the SMILES notation for 4,4-dimethylpentoxybenzene;fluoromethane?
The canonical SMILES for 4,4-dimethylpentoxybenzene;fluoromethane is CC(C)(C)CCCOc1ccccc1.CF.
What is the InChIKey of 4,4-dimethylpentoxybenzene;fluoromethane?
The InChIKey is GWOKNDAFURDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.CH3F/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12;1-2/h4-6,8-9H,7,10-11H2,1-3H3;1H3.
What are the key properties of 4,4-dimethylpentoxybenzene;fluoromethane?
4,4-dimethylpentoxybenzene;fluoromethane has a molecular weight of 226.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentoxybenzene;fluoromethane is sourced from PubChem (CID 158387745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).