1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane

C28H54O5 — CID 90849412

IUPAC1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane
SMILESCC(C)C1C(C)CCCC1OCCOCCOCCOCCOC1CCCC(C)C1C(C)C
InChIInChI=1S/C28H54O5/c1-21(2)27-23(5)9-7-11-25(27)32-19-17-30-15-13-29-14-16-31-18-20-33-26-12-8-10-24(6)28(26)22(3)4/h21-28H,7-20H2,1-6H3
InChIKeyMPZMHOVZYIKJSO-UHFFFAOYSA-N
MW470.74 g/mol
LogP5.99
Rot. Bonds16

About 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane

1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane (PubChem CID 90849412) has the molecular formula C28H54O5 and a molecular weight of 470.74 g/mol. Its IUPAC name is 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane
PubChem CID90849412
Molecular FormulaC28H54O5
Molecular Weight470.74 g/mol
Exact Mass470.40
IUPAC Name1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane
SMILESCC(C)C1C(C)CCCC1OCCOCCOCCOCCOC1CCCC(C)C1C(C)C
InChIInChI=1S/C28H54O5/c1-21(2)27-23(5)9-7-11-25(27)32-19-17-30-15-13-29-14-16-31-18-20-33-26-12-8-10-24(6)28(26)22(3)4/h21-28H,7-20H2,1-6H3
InChIKeyMPZMHOVZYIKJSO-UHFFFAOYSA-N
XLogP5.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane?
The IUPAC name of 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane (CID 90849412) is 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane?
The canonical SMILES for 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane is CC(C)C1C(C)CCCC1OCCOCCOCCOCCOC1CCCC(C)C1C(C)C.
What is the InChIKey of 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane?
The InChIKey is MPZMHOVZYIKJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O5/c1-21(2)27-23(5)9-7-11-25(27)32-19-17-30-15-13-29-14-16-31-18-20-33-26-12-8-10-24(6)28(26)22(3)4/h21-28H,7-20H2,1-6H3.
What are the key properties of 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane?
1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane has a molecular weight of 470.74 g/mol, XLogP of 5.99, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane is sourced from PubChem (CID 90849412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).