2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol

C20H40O2 — CID 71047327

IUPAC2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol
SMILESCC(C)CC(C)(C(C)C)C(O)OC(C)(C)C1CCC(C)CC1
InChIInChI=1S/C20H40O2/c1-14(2)13-20(8,15(3)4)18(21)22-19(6,7)17-11-9-16(5)10-12-17/h14-18,21H,9-13H2,1-8H3
InChIKeyMSINYXCEUNEUOY-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.63
Rot. Bonds7

About 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol

2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol (PubChem CID 71047327) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol
PubChem CID71047327
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol
SMILESCC(C)CC(C)(C(C)C)C(O)OC(C)(C)C1CCC(C)CC1
InChIInChI=1S/C20H40O2/c1-14(2)13-20(8,15(3)4)18(21)22-19(6,7)17-11-9-16(5)10-12-17/h14-18,21H,9-13H2,1-8H3
InChIKeyMSINYXCEUNEUOY-UHFFFAOYSA-N
XLogP5.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol?
The IUPAC name of 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol (CID 71047327) is 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol.
What is the SMILES notation for 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol?
The canonical SMILES for 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol is CC(C)CC(C)(C(C)C)C(O)OC(C)(C)C1CCC(C)CC1.
What is the InChIKey of 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol?
The InChIKey is MSINYXCEUNEUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-14(2)13-20(8,15(3)4)18(21)22-19(6,7)17-11-9-16(5)10-12-17/h14-18,21H,9-13H2,1-8H3.
What are the key properties of 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol?
2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol has a molecular weight of 312.54 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol is sourced from PubChem (CID 71047327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).