1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane

C15H30O3 — CID 123666690

IUPAC1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane
SMILESCCCC(OC)OC1CCC(C(C)(C)OC)CC1
InChIInChI=1S/C15H30O3/c1-6-7-14(16-4)18-13-10-8-12(9-11-13)15(2,3)17-5/h12-14H,6-11H2,1-5H3
InChIKeyNBTIIWCGDVVOOT-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.76
Rot. Bonds7

About 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane

1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane (PubChem CID 123666690) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane
PubChem CID123666690
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane
SMILESCCCC(OC)OC1CCC(C(C)(C)OC)CC1
InChIInChI=1S/C15H30O3/c1-6-7-14(16-4)18-13-10-8-12(9-11-13)15(2,3)17-5/h12-14H,6-11H2,1-5H3
InChIKeyNBTIIWCGDVVOOT-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane?
The IUPAC name of 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane (CID 123666690) is 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane.
What is the SMILES notation for 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane?
The canonical SMILES for 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane is CCCC(OC)OC1CCC(C(C)(C)OC)CC1.
What is the InChIKey of 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane?
The InChIKey is NBTIIWCGDVVOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-6-7-14(16-4)18-13-10-8-12(9-11-13)15(2,3)17-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane?
1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane has a molecular weight of 258.40 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane is sourced from PubChem (CID 123666690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).