1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane

C15H30O2 — CID 178085895

IUPAC1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane
SMILESCC(C)CCOCC1CCC(OC(C)C)CC1
InChIInChI=1S/C15H30O2/c1-12(2)9-10-16-11-14-5-7-15(8-6-14)17-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyHPUVTEBVQKULEJ-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.03
Rot. Bonds7

About 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane

1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane (PubChem CID 178085895) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane
PubChem CID178085895
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane
SMILESCC(C)CCOCC1CCC(OC(C)C)CC1
InChIInChI=1S/C15H30O2/c1-12(2)9-10-16-11-14-5-7-15(8-6-14)17-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyHPUVTEBVQKULEJ-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutoxymethylcyclopropane
CID 58970607
3-methylbutoxymethylcyclobutane
CID 66602657
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
3-methylhex-4-ynoxymethylcyclopropane
CID 100959588
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane
CID 126699389
N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
CID 62582719
1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
CID 140623503
6-(cyclohexylmethoxy)hexan-2-amine
CID 62382043
1-(4-propan-2-yloxycyclohexyl)ethylphosphane
CID 71124191
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane?
The IUPAC name of 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane (CID 178085895) is 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane?
The canonical SMILES for 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane is CC(C)CCOCC1CCC(OC(C)C)CC1.
What is the InChIKey of 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane?
The InChIKey is HPUVTEBVQKULEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-12(2)9-10-16-11-14-5-7-15(8-6-14)17-13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane?
1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane has a molecular weight of 242.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane is sourced from PubChem (CID 178085895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).