2-butoxyethoxycyclohexane

C12H24O2 — CID 53426944

IUPAC2-butoxyethoxycyclohexane
SMILESCCCCOCCOC1CCCCC1
InChIInChI=1S/C12H24O2/c1-2-3-9-13-10-11-14-12-7-5-4-6-8-12/h12H,2-11H2,1H3
InChIKeyMGXZPFORGQPLOL-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds7

About 2-butoxyethoxycyclohexane

2-butoxyethoxycyclohexane (PubChem CID 53426944) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-butoxyethoxycyclohexane.

Molecular Properties

Compound Name2-butoxyethoxycyclohexane
PubChem CID53426944
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-butoxyethoxycyclohexane
SMILESCCCCOCCOC1CCCCC1
InChIInChI=1S/C12H24O2/c1-2-3-9-13-10-11-14-12-7-5-4-6-8-12/h12H,2-11H2,1H3
InChIKeyMGXZPFORGQPLOL-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 2-butoxyethoxycyclohexane?
The IUPAC name of 2-butoxyethoxycyclohexane (CID 53426944) is 2-butoxyethoxycyclohexane.
What is the SMILES notation for 2-butoxyethoxycyclohexane?
The canonical SMILES for 2-butoxyethoxycyclohexane is CCCCOCCOC1CCCCC1.
What is the InChIKey of 2-butoxyethoxycyclohexane?
The InChIKey is MGXZPFORGQPLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-9-13-10-11-14-12-7-5-4-6-8-12/h12H,2-11H2,1H3.
What are the key properties of 2-butoxyethoxycyclohexane?
2-butoxyethoxycyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethoxycyclohexane is sourced from PubChem (CID 53426944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).