1-ethoxy-4-hexoxycyclohexane

C14H28O2 — CID 147022477

IUPAC1-ethoxy-4-hexoxycyclohexane
SMILESCCCCCCOC1CCC(OCC)CC1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-12-16-14-10-8-13(9-11-14)15-4-2/h13-14H,3-12H2,1-2H3
InChIKeyAVZHJMCNIINXKO-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds8

About 1-ethoxy-4-hexoxycyclohexane

1-ethoxy-4-hexoxycyclohexane (PubChem CID 147022477) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-ethoxy-4-hexoxycyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-hexoxycyclohexane
PubChem CID147022477
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-ethoxy-4-hexoxycyclohexane
SMILESCCCCCCOC1CCC(OCC)CC1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-12-16-14-10-8-13(9-11-14)15-4-2/h13-14H,3-12H2,1-2H3
InChIKeyAVZHJMCNIINXKO-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.93
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

heptoxycyclopropane
CID 54099544
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
1-ethyl-4-hexoxycyclohexane
CID 142019346
4-pentoxypiperidine
CID 43167830
1-ethyl-4-(4-octoxycyclohexyl)cyclohexane
CID 18605379
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
butoxycyclobutane
CID 54057236
3-hexoxycyclopentan-1-amine
CID 79464533
1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 71106589
4-(4-octoxycyclohexyl)cyclohexane-1-carbonitrile
CID 57058865
1-but-3-enoxy-4-(4-heptoxycyclohexyl)cyclohexane
CID 59498876

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-hexoxycyclohexane?
The IUPAC name of 1-ethoxy-4-hexoxycyclohexane (CID 147022477) is 1-ethoxy-4-hexoxycyclohexane.
What is the SMILES notation for 1-ethoxy-4-hexoxycyclohexane?
The canonical SMILES for 1-ethoxy-4-hexoxycyclohexane is CCCCCCOC1CCC(OCC)CC1.
What is the InChIKey of 1-ethoxy-4-hexoxycyclohexane?
The InChIKey is AVZHJMCNIINXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-6-7-12-16-14-10-8-13(9-11-14)15-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-ethoxy-4-hexoxycyclohexane?
1-ethoxy-4-hexoxycyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-hexoxycyclohexane is sourced from PubChem (CID 147022477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).