1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane

C23H48O3 — CID 57145884

IUPAC1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane
SMILESCCCCCCOCCC(C)(CCOC(C)C(C)C)OCCCC(C)C
InChIInChI=1S/C23H48O3/c1-8-9-10-11-16-24-18-14-23(7,26-17-12-13-20(2)3)15-19-25-22(6)21(4)5/h20-22H,8-19H2,1-7H3
InChIKeyDBOPCIRWQAZKFE-UHFFFAOYSA-N
MW372.63 g/mol
LogP6.64
Rot. Bonds18

About 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane

1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane (PubChem CID 57145884) has the molecular formula C23H48O3 and a molecular weight of 372.63 g/mol. Its IUPAC name is 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane.

Molecular Properties

Compound Name1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane
PubChem CID57145884
Molecular FormulaC23H48O3
Molecular Weight372.63 g/mol
Exact Mass372.36
IUPAC Name1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane
SMILESCCCCCCOCCC(C)(CCOC(C)C(C)C)OCCCC(C)C
InChIInChI=1S/C23H48O3/c1-8-9-10-11-16-24-18-14-23(7,26-17-12-13-20(2)3)15-19-25-22(6)21(4)5/h20-22H,8-19H2,1-7H3
InChIKeyDBOPCIRWQAZKFE-UHFFFAOYSA-N
XLogP6.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-Propoxyethyl)oxane
CID 56990213
2-(1-Propoxybutan-2-yl)oxetane
CID 91803452
3-(5-Butoxypentoxymethyl)heptane
CID 22399959
1-Hexoxy-3-methyl-3-(3-methylbutan-2-yloxy)-5-(4-methylpentoxy)pentane
CID 53903662
1,6-Dibutoxy-3-(butoxymethyl)hexane
CID 54064276
1-[4-(4-Methylpentoxy)butan-2-yloxy]hexane
CID 57015480
3-(1-Methoxyethyl)oxane
CID 57141283
6-Butoxy-4-methyl-2-propan-2-yloxyoctane
CID 57198332
3-[({1,3-Bis[(2-ethylhexyl)oxy]propan-2-yl}oxy)methyl]heptane
CID 71373258
(3S)-1-[(2R)-butan-2-yl]oxy-3-[(3R)-3-ethoxy-4-methylpentoxy]hexane
CID 87530737
3-(1,3-Dibutoxypropan-2-yloxymethyl)heptane
CID 88620719
3-[1,3-Di(propan-2-yloxy)propan-2-yloxymethyl]heptane
CID 88620771

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane?
The IUPAC name of 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane (CID 57145884) is 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane.
What is the SMILES notation for 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane?
The canonical SMILES for 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane is CCCCCCOCCC(C)(CCOC(C)C(C)C)OCCCC(C)C.
What is the InChIKey of 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane?
The InChIKey is DBOPCIRWQAZKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O3/c1-8-9-10-11-16-24-18-14-23(7,26-17-12-13-20(2)3)15-19-25-22(6)21(4)5/h20-22H,8-19H2,1-7H3.
What are the key properties of 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane?
1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane has a molecular weight of 372.63 g/mol, XLogP of 6.64, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-methyl-5-(3-methylbutan-2-yloxy)-3-(4-methylpentoxy)pentane is sourced from PubChem (CID 57145884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).