1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene

C87H132O14 — CID 158674589

IUPAC1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene
SMILESCCCCOc1cc(C)c(OCCCC)cc1C.CCCOc1cc(C)c(OCCC)cc1C.CCOc1cc(C)c(OCC)cc1C.COCCOc1cc(C)ccc1C.COCOc1cc(C)ccc1C.COc1cc(C)c(OC)cc1C.Cc1cc(OC(C)C)c(C)cc1OC(C)C
InChIInChI=1S/C16H26O2.2C14H22O2.C12H18O2.C11H16O2.2C10H14O2/c1-5-7-9-17-15-11-14(4)16(12-13(15)3)18-10-8-6-2;1-9(2)15-13-7-12(6)14(8-11(13)5)16-10(3)4;1-5-7-15-13-9-12(4)14(10-11(13)3)16-8-6-2;1-5-13-11-7-10(4)12(14-6-2)8-9(11)3;1-9-4-5-10(2)11(8-9)13-7-6-12-3;1-7-5-10(12-4)8(2)6-9(7)11-3;1-8-4-5-9(2)10(6-8)12-7-11-3/h11-12H,5-10H2,1-4H3;7-10H,1-6H3;9-10H,5-8H2,1-4H3;7-8H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3;5-6H,1-4H3;4-6H,7H2,1-3H3
InChIKeyIEIXYDKQYMXHSC-UHFFFAOYSA-N
MW1402.00 g/mol
LogP22.46
Rot. Bonds31

About 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene

1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene (PubChem CID 158674589) has the molecular formula C87H132O14 and a molecular weight of 1402.00 g/mol. Its IUPAC name is 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene.

Molecular Properties

Compound Name1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene
PubChem CID158674589
Molecular FormulaC87H132O14
Molecular Weight1402.00 g/mol
Exact Mass1400.96
IUPAC Name1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene
SMILESCCCCOc1cc(C)c(OCCCC)cc1C.CCCOc1cc(C)c(OCCC)cc1C.CCOc1cc(C)c(OCC)cc1C.COCCOc1cc(C)ccc1C.COCOc1cc(C)ccc1C.COc1cc(C)c(OC)cc1C.Cc1cc(OC(C)C)c(C)cc1OC(C)C
InChIInChI=1S/C16H26O2.2C14H22O2.C12H18O2.C11H16O2.2C10H14O2/c1-5-7-9-17-15-11-14(4)16(12-13(15)3)18-10-8-6-2;1-9(2)15-13-7-12(6)14(8-11(13)5)16-10(3)4;1-5-7-15-13-9-12(4)14(10-11(13)3)16-8-6-2;1-5-13-11-7-10(4)12(14-6-2)8-9(11)3;1-9-4-5-10(2)11(8-9)13-7-6-12-3;1-7-5-10(12-4)8(2)6-9(7)11-3;1-8-4-5-9(2)10(6-8)12-7-11-3/h11-12H,5-10H2,1-4H3;7-10H,1-6H3;9-10H,5-8H2,1-4H3;7-8H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3;5-6H,1-4H3;4-6H,7H2,1-3H3
InChIKeyIEIXYDKQYMXHSC-UHFFFAOYSA-N
XLogP22.46
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001402.00
LogP ≤ 522.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene with MolForge

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Related Compounds

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CID 67069190
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(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene?
The IUPAC name of 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene (CID 158674589) is 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene.
What is the SMILES notation for 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene?
The canonical SMILES for 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene is CCCCOc1cc(C)c(OCCCC)cc1C.CCCOc1cc(C)c(OCCC)cc1C.CCOc1cc(C)c(OCC)cc1C.COCCOc1cc(C)ccc1C.COCOc1cc(C)ccc1C.COc1cc(C)c(OC)cc1C.Cc1cc(OC(C)C)c(C)cc1OC(C)C.
What is the InChIKey of 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene?
The InChIKey is IEIXYDKQYMXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.2C14H22O2.C12H18O2.C11H16O2.2C10H14O2/c1-5-7-9-17-15-11-14(4)16(12-13(15)3)18-10-8-6-2;1-9(2)15-13-7-12(6)14(8-11(13)5)16-10(3)4;1-5-7-15-13-9-12(4)14(10-11(13)3)16-8-6-2;1-5-13-11-7-10(4)12(14-6-2)8-9(11)3;1-9-4-5-10(2)11(8-9)13-7-6-12-3;1-7-5-10(12-4)8(2)6-9(7)11-3;1-8-4-5-9(2)10(6-8)12-7-11-3/h11-12H,5-10H2,1-4H3;7-10H,1-6H3;9-10H,5-8H2,1-4H3;7-8H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3;5-6H,1-4H3;4-6H,7H2,1-3H3.
What are the key properties of 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene?
1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene has a molecular weight of 1402.00 g/mol, XLogP of 22.46, 31 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutoxy-2,5-dimethylbenzene;1,4-diethoxy-2,5-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2,5-di(propan-2-yloxy)benzene;1,4-dimethyl-2,5-dipropoxybenzene;2-(2-methoxyethoxy)-1,4-dimethylbenzene;2-(methoxymethoxy)-1,4-dimethylbenzene is sourced from PubChem (CID 158674589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).