1,5-dihexoxy-2,3-dimethylbenzene

C20H34O2 — CID 23531654

IUPAC1,5-dihexoxy-2,3-dimethylbenzene
SMILESCCCCCCOc1cc(C)c(C)c(OCCCCCC)c1
InChIInChI=1S/C20H34O2/c1-5-7-9-11-13-21-19-15-17(3)18(4)20(16-19)22-14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyRPEQICXHNFZCST-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.22
Rot. Bonds12

About 1,5-dihexoxy-2,3-dimethylbenzene

1,5-dihexoxy-2,3-dimethylbenzene (PubChem CID 23531654) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1,5-dihexoxy-2,3-dimethylbenzene.

Molecular Properties

Compound Name1,5-dihexoxy-2,3-dimethylbenzene
PubChem CID23531654
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1,5-dihexoxy-2,3-dimethylbenzene
SMILESCCCCCCOc1cc(C)c(C)c(OCCCCCC)c1
InChIInChI=1S/C20H34O2/c1-5-7-9-11-13-21-19-15-17(3)18(4)20(16-19)22-14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyRPEQICXHNFZCST-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.22
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

1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1,3-dimethyl-2-methylsulfonyl-5-tricosoxybenzene
CID 70896677
2-tert-butyl-5-hexoxy-1,3-dimethylbenzene
CID 155766405
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
5-decoxy-1,2,3-trimethylbenzene;1-methyl-4-prop-1-ynylbenzene
CID 162161210
4-hexadecoxy-2,6-dimethylbenzenesulfonic acid
CID 4082127
1,3-dimethyl-2-nitro-5-octoxybenzene
CID 18519339
4-butoxy-2,6-dimethylbenzenethiol
CID 91655340
2,4,6-tributoxyaniline
CID 130240432
2-methyl-4-nonoxyaniline
CID 43128997
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
2,3,6,7,10-pentahexoxy-11-[7-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyheptoxy]triphenylene
CID 100981967

Frequently Asked Questions

What is the IUPAC name of 1,5-dihexoxy-2,3-dimethylbenzene?
The IUPAC name of 1,5-dihexoxy-2,3-dimethylbenzene (CID 23531654) is 1,5-dihexoxy-2,3-dimethylbenzene.
What is the SMILES notation for 1,5-dihexoxy-2,3-dimethylbenzene?
The canonical SMILES for 1,5-dihexoxy-2,3-dimethylbenzene is CCCCCCOc1cc(C)c(C)c(OCCCCCC)c1.
What is the InChIKey of 1,5-dihexoxy-2,3-dimethylbenzene?
The InChIKey is RPEQICXHNFZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-5-7-9-11-13-21-19-15-17(3)18(4)20(16-19)22-14-12-10-8-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 1,5-dihexoxy-2,3-dimethylbenzene?
1,5-dihexoxy-2,3-dimethylbenzene has a molecular weight of 306.49 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihexoxy-2,3-dimethylbenzene is sourced from PubChem (CID 23531654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).