1-(4-ethylhexoxy)-4-methylcyclohexane

C15H30O — CID 123446750

IUPAC1-(4-ethylhexoxy)-4-methylcyclohexane
SMILESCCC(CC)CCCOC1CCC(C)CC1
InChIInChI=1S/C15H30O/c1-4-14(5-2)7-6-12-16-15-10-8-13(3)9-11-15/h13-15H,4-12H2,1-3H3
InChIKeyWDAOUVHPXVJLRS-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.80
Rot. Bonds7

About 1-(4-ethylhexoxy)-4-methylcyclohexane

1-(4-ethylhexoxy)-4-methylcyclohexane (PubChem CID 123446750) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-(4-ethylhexoxy)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(4-ethylhexoxy)-4-methylcyclohexane
PubChem CID123446750
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-(4-ethylhexoxy)-4-methylcyclohexane
SMILESCCC(CC)CCCOC1CCC(C)CC1
InChIInChI=1S/C15H30O/c1-4-14(5-2)7-6-12-16-15-10-8-13(3)9-11-15/h13-15H,4-12H2,1-3H3
InChIKeyWDAOUVHPXVJLRS-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.80
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

2-Ethoxy-1,3-dimethylcyclohexane
CID 101096771
1-Methoxy-4-methylcyclohexane
CID 6336264
4-Methylcyclohexanol acetate
CID 83352
3-(Butoxymethyl)heptane
CID 522064
1-Methoxy-4-(propan-2-yl)cyclohexane
CID 23594959
Cyclohexane, (1-methoxyethyl)-
CID 106834
1-Methoxy-2-methylcyclohexane
CID 12546406
1-Isobutoxy-2-ethylhexane
CID 545495
Methoxymethylcyclohexane
CID 6432218
Cyclohexane, [(1,1-dimethylethoxy)methyl]-
CID 10877561
cis1Methoxy 2methyl cyclohexane
CID 11137184
cis-(1S,3R)-1-methoxy-3-methylcyclohexane
CID 28102483

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylhexoxy)-4-methylcyclohexane?
The IUPAC name of 1-(4-ethylhexoxy)-4-methylcyclohexane (CID 123446750) is 1-(4-ethylhexoxy)-4-methylcyclohexane.
What is the SMILES notation for 1-(4-ethylhexoxy)-4-methylcyclohexane?
The canonical SMILES for 1-(4-ethylhexoxy)-4-methylcyclohexane is CCC(CC)CCCOC1CCC(C)CC1.
What is the InChIKey of 1-(4-ethylhexoxy)-4-methylcyclohexane?
The InChIKey is WDAOUVHPXVJLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-14(5-2)7-6-12-16-15-10-8-13(3)9-11-15/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-(4-ethylhexoxy)-4-methylcyclohexane?
1-(4-ethylhexoxy)-4-methylcyclohexane has a molecular weight of 226.40 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylhexoxy)-4-methylcyclohexane is sourced from PubChem (CID 123446750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).