1,4-dibutoxy-2,5-dimethylbenzene

C16H26O2 — CID 20612934

IUPAC1,4-dibutoxy-2,5-dimethylbenzene
SMILESCCCCOc1cc(C)c(OCCCC)cc1C
InChIInChI=1S/C16H26O2/c1-5-7-9-17-15-11-14(4)16(12-13(15)3)18-10-8-6-2/h11-12H,5-10H2,1-4H3
InChIKeyGKYGQPHWOXSLTM-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.66
Rot. Bonds8

About 1,4-dibutoxy-2,5-dimethylbenzene

1,4-dibutoxy-2,5-dimethylbenzene (PubChem CID 20612934) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,4-dibutoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,4-dibutoxy-2,5-dimethylbenzene
PubChem CID20612934
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,4-dibutoxy-2,5-dimethylbenzene
SMILESCCCCOc1cc(C)c(OCCCC)cc1C
InChIInChI=1S/C16H26O2/c1-5-7-9-17-15-11-14(4)16(12-13(15)3)18-10-8-6-2/h11-12H,5-10H2,1-4H3
InChIKeyGKYGQPHWOXSLTM-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.66
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

1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
4-butoxy-2-chloro-5-methylaniline
CID 115555294
2-butoxy-1-methyl-4-(4-methyl-3-propoxyphenyl)benzene
CID 165016144
3-butoxy-4-methylphenol
CID 54016675
2,5-dimethyl-4-pentoxybenzenesulfonyl chloride
CID 43134383
1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene
CID 59896216
2,5-dibutoxy-3,6-dimethylphenol
CID 90435242
1-(3-bromopropoxy)-2,4,5-trimethylbenzene
CID 82089154
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-bromo-5-butoxy-4-methylbenzoic acid
CID 170777725
2,5-dimethyl-4-octoxybenzenesulfonyl chloride
CID 43134384

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutoxy-2,5-dimethylbenzene?
The IUPAC name of 1,4-dibutoxy-2,5-dimethylbenzene (CID 20612934) is 1,4-dibutoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1,4-dibutoxy-2,5-dimethylbenzene?
The canonical SMILES for 1,4-dibutoxy-2,5-dimethylbenzene is CCCCOc1cc(C)c(OCCCC)cc1C.
What is the InChIKey of 1,4-dibutoxy-2,5-dimethylbenzene?
The InChIKey is GKYGQPHWOXSLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-7-9-17-15-11-14(4)16(12-13(15)3)18-10-8-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,4-dibutoxy-2,5-dimethylbenzene?
1,4-dibutoxy-2,5-dimethylbenzene has a molecular weight of 250.38 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutoxy-2,5-dimethylbenzene is sourced from PubChem (CID 20612934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).