1-ethyl-4-hexoxycyclohexane

C14H28O — CID 142019346

IUPAC1-ethyl-4-hexoxycyclohexane
SMILESCCCCCCOC1CCC(CC)CC1
InChIInChI=1S/C14H28O/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h13-14H,3-12H2,1-2H3
InChIKeyZYOVOXNDJRFRMG-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.55
Rot. Bonds7

About 1-ethyl-4-hexoxycyclohexane

1-ethyl-4-hexoxycyclohexane (PubChem CID 142019346) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-ethyl-4-hexoxycyclohexane.

Molecular Properties

Compound Name1-ethyl-4-hexoxycyclohexane
PubChem CID142019346
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-ethyl-4-hexoxycyclohexane
SMILESCCCCCCOC1CCC(CC)CC1
InChIInChI=1S/C14H28O/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h13-14H,3-12H2,1-2H3
InChIKeyZYOVOXNDJRFRMG-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 18974564
1-Methoxy-4-methylcyclohexane
CID 6336264
1-Tert-butyl-4-methoxycyclohexane
CID 139997
1-Methoxy-4-(propan-2-yl)cyclohexane
CID 23594959
Cyclohexane, (1-methoxyethyl)-
CID 106834
1-Methoxy-2-methylcyclohexane
CID 12546406
Cyclohexane, [(1,1-dimethylethoxy)methyl]-
CID 10877561
cis1Methoxy 2methyl cyclohexane
CID 11137184
cis-(1S,3R)-1-methoxy-3-methylcyclohexane
CID 28102483
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
(2-Methoxyethyl)cyclohexane
CID 557611

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hexoxycyclohexane?
The IUPAC name of 1-ethyl-4-hexoxycyclohexane (CID 142019346) is 1-ethyl-4-hexoxycyclohexane.
What is the SMILES notation for 1-ethyl-4-hexoxycyclohexane?
The canonical SMILES for 1-ethyl-4-hexoxycyclohexane is CCCCCCOC1CCC(CC)CC1.
What is the InChIKey of 1-ethyl-4-hexoxycyclohexane?
The InChIKey is ZYOVOXNDJRFRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-4-hexoxycyclohexane?
1-ethyl-4-hexoxycyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hexoxycyclohexane is sourced from PubChem (CID 142019346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).