1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane

C24H46O — CID 19739160

IUPAC1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane
SMILESCCCCCCCC1CCC(OCCCC2CCC(CC)CC2)CC1
InChIInChI=1S/C24H46O/c1-3-5-6-7-8-10-22-16-18-24(19-17-22)25-20-9-11-23-14-12-21(4-2)13-15-23/h21-24H,3-20H2,1-2H3
InChIKeyGPVAWXINDJOZLJ-UHFFFAOYSA-N
MW350.63 g/mol
LogP7.92
Rot. Bonds12

About 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane

1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane (PubChem CID 19739160) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane
PubChem CID19739160
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane
SMILESCCCCCCCC1CCC(OCCCC2CCC(CC)CC2)CC1
InChIInChI=1S/C24H46O/c1-3-5-6-7-8-10-22-16-18-24(19-17-22)25-20-9-11-23-14-12-21(4-2)13-15-23/h21-24H,3-20H2,1-2H3
InChIKeyGPVAWXINDJOZLJ-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 57.92
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

1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
1-ethyl-4-hexoxycyclohexane
CID 142019346
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113
1-ethyl-4-(4-octoxycyclohexyl)cyclohexane
CID 18605379
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
heptoxycyclopropane
CID 54099544
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane (CID 19739160) is 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane is CCCCCCCC1CCC(OCCCC2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane?
The InChIKey is GPVAWXINDJOZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-3-5-6-7-8-10-22-16-18-24(19-17-22)25-20-9-11-23-14-12-21(4-2)13-15-23/h21-24H,3-20H2,1-2H3.
What are the key properties of 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane?
1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane has a molecular weight of 350.63 g/mol, XLogP of 7.92, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane is sourced from PubChem (CID 19739160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).