1,4-dimethyl-2-pentoxybenzene

C13H20O — CID 59184214

IUPAC1,4-dimethyl-2-pentoxybenzene
SMILESCCCCCOc1cc(C)ccc1C
InChIInChI=1S/C13H20O/c1-4-5-6-9-14-13-10-11(2)7-8-12(13)3/h7-8,10H,4-6,9H2,1-3H3
InChIKeySVUJFCLXCDUGPS-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.87
Rot. Bonds5

About 1,4-dimethyl-2-pentoxybenzene

1,4-dimethyl-2-pentoxybenzene (PubChem CID 59184214) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,4-dimethyl-2-pentoxybenzene.

Molecular Properties

Compound Name1,4-dimethyl-2-pentoxybenzene
PubChem CID59184214
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,4-dimethyl-2-pentoxybenzene
SMILESCCCCCOc1cc(C)ccc1C
InChIInChI=1S/C13H20O/c1-4-5-6-9-14-13-10-11(2)7-8-12(13)3/h7-8,10H,4-6,9H2,1-3H3
InChIKeySVUJFCLXCDUGPS-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.87
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

2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-decoxy-1,4-dimethylbenzene;9,9-didodecyl-2,7-dimethylfluorene
CID 123681817
4-(2,5-dimethylphenoxy)butyl-diethylazanium
CID 2245590
3-hexadecoxy-4-methylaniline
CID 57081496
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
4-methyl-2-tetradecoxyphenol
CID 19014152
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-hex-5-ynoxy-1,4-dimethylbenzene
CID 82363036
N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]hexadecan-1-amine
CID 54855433
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-pentoxybenzene?
The IUPAC name of 1,4-dimethyl-2-pentoxybenzene (CID 59184214) is 1,4-dimethyl-2-pentoxybenzene.
What is the SMILES notation for 1,4-dimethyl-2-pentoxybenzene?
The canonical SMILES for 1,4-dimethyl-2-pentoxybenzene is CCCCCOc1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-pentoxybenzene?
The InChIKey is SVUJFCLXCDUGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-6-9-14-13-10-11(2)7-8-12(13)3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-pentoxybenzene?
1,4-dimethyl-2-pentoxybenzene has a molecular weight of 192.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-pentoxybenzene is sourced from PubChem (CID 59184214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).