3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane

C18H36 — CID 123913316

IUPAC3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
SMILESCCCCCCC1CCC(C)C(CC)C1CCC
InChIInChI=1S/C18H36/c1-5-8-9-10-12-16-14-13-15(4)17(7-3)18(16)11-6-2/h15-18H,5-14H2,1-4H3
InChIKeyLWXAGWDZPZNTTK-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.45
Rot. Bonds8

About 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane

3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane (PubChem CID 123913316) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane.

Molecular Properties

Compound Name3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
PubChem CID123913316
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
SMILESCCCCCCC1CCC(C)C(CC)C1CCC
InChIInChI=1S/C18H36/c1-5-8-9-10-12-16-14-13-15(4)17(7-3)18(16)11-6-2/h15-18H,5-14H2,1-4H3
InChIKeyLWXAGWDZPZNTTK-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-methyl-4-(7-methyloctyl)-3-propylcyclohexane
CID 145259223
1-ethyl-3-methyl-2-pentylcyclopentane
CID 91079962
(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
(2,3-dihexyl-6-nonylcyclohexyl)methanamine
CID 161402447
8-[2-(8-aminooctyl)-3,4-dioctylcyclohexyl]octan-1-amine
CID 156680959
1-ethyl-2,3-dimethyl-4-pentylcyclohexane;octane;pentane
CID 160972744
1-methyl-2-pentadecylcyclopropane
CID 54385825
hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;1-hexyl-2,3,4-trioctylcyclohexane
CID 158828097
1,3-diethyl-4-methyl-2-propylcyclopentane
CID 143310394
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
1-decyl-2-methylcyclohexane
CID 123746851
2-methyl-7-pentylbicyclo[3.2.0]heptane
CID 91211624

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane?
The IUPAC name of 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane (CID 123913316) is 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane.
What is the SMILES notation for 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane?
The canonical SMILES for 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane is CCCCCCC1CCC(C)C(CC)C1CCC.
What is the InChIKey of 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane?
The InChIKey is LWXAGWDZPZNTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-5-8-9-10-12-16-14-13-15(4)17(7-3)18(16)11-6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane?
3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane is sourced from PubChem (CID 123913316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).