1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane

C28H54 — CID 58111745

IUPAC1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane
SMILESCCC1CC(CC2CC(CCCC(C)C)[C@@H](CC)C(C)[C@H]2C)C(C)C(C)C1C
InChIInChI=1S/C28H54/c1-10-24-15-26(21(7)19(5)20(24)6)17-27-16-25(14-12-13-18(3)4)28(11-2)23(9)22(27)8/h18-28H,10-17H2,1-9H3/t19?,20?,21?,22-,23?,24?,25?,26?,27?,28+/m1/s1
InChIKeyJZVOENHGJYDCCW-OLIDUAMRSA-N
MW390.74 g/mol
LogP9.09
Rot. Bonds8

About 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane

1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane (PubChem CID 58111745) has the molecular formula C28H54 and a molecular weight of 390.74 g/mol. Its IUPAC name is 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane.

Molecular Properties

Compound Name1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane
PubChem CID58111745
Molecular FormulaC28H54
Molecular Weight390.74 g/mol
Exact Mass390.42
IUPAC Name1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane
SMILESCCC1CC(CC2CC(CCCC(C)C)[C@@H](CC)C(C)[C@H]2C)C(C)C(C)C1C
InChIInChI=1S/C28H54/c1-10-24-15-26(21(7)19(5)20(24)6)17-27-16-25(14-12-13-18(3)4)28(11-2)23(9)22(27)8/h18-28H,10-17H2,1-9H3/t19?,20?,21?,22-,23?,24?,25?,26?,27?,28+/m1/s1
InChIKeyJZVOENHGJYDCCW-OLIDUAMRSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.74
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane with MolForge

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Related Compounds

1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297
1-(3-methylpentyl)-2-(4-methylpentyl)cyclopropane
CID 91283171
1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825
2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
CID 123529702
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine
CID 118618598
2-ethyl-1-methyl-4-(7-methyloctyl)-3-propylcyclohexane
CID 145259223
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372
5-ethyl-2,3,4-trimethylcyclohexan-1-amine
CID 144529983
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane?
The IUPAC name of 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane (CID 58111745) is 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane.
What is the SMILES notation for 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane?
The canonical SMILES for 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane is CCC1CC(CC2CC(CCCC(C)C)[C@@H](CC)C(C)[C@H]2C)C(C)C(C)C1C.
What is the InChIKey of 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane?
The InChIKey is JZVOENHGJYDCCW-OLIDUAMRSA-N. The full InChI is InChI=1S/C28H54/c1-10-24-15-26(21(7)19(5)20(24)6)17-27-16-25(14-12-13-18(3)4)28(11-2)23(9)22(27)8/h18-28H,10-17H2,1-9H3/t19?,20?,21?,22-,23?,24?,25?,26?,27?,28+/m1/s1.
What are the key properties of 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane?
1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane has a molecular weight of 390.74 g/mol, XLogP of 9.09, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane is sourced from PubChem (CID 58111745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).