(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane

C13H26 — CID 143806596

IUPAC(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
SMILESCCC1C(C)C(C)C(C)[C@@H](C)C1C
InChIInChI=1S/C13H26/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h8-13H,7H2,1-6H3/t8?,9-,10?,11?,12?,13?/m1/s1
InChIKeyXMCLUSBTUWYOEU-HPFDTCNMSA-N
MW182.35 g/mol
LogP4.21
Rot. Bonds1

About (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane

(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane (PubChem CID 143806596) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane.

Molecular Properties

Compound Name(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
PubChem CID143806596
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
SMILESCCC1C(C)C(C)C(C)[C@@H](C)C1C
InChIInChI=1S/C13H26/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h8-13H,7H2,1-6H3/t8?,9-,10?,11?,12?,13?/m1/s1
InChIKeyXMCLUSBTUWYOEU-HPFDTCNMSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
1-chloro-2-ethyl-3,4-dimethylcyclobutane
CID 174674861
propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
CID 162289417
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1-ethyl-2-[2-(2-ethyl-3-methylcyclopropyl)ethyl]-3-methylcyclopropane
CID 90777753
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
4,5-diethyl-3,6-dimethylcyclohexene
CID 59982962

Frequently Asked Questions

What is the IUPAC name of (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane?
The IUPAC name of (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane (CID 143806596) is (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane.
What is the SMILES notation for (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane?
The canonical SMILES for (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane is CCC1C(C)C(C)C(C)[C@@H](C)C1C.
What is the InChIKey of (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane?
The InChIKey is XMCLUSBTUWYOEU-HPFDTCNMSA-N. The full InChI is InChI=1S/C13H26/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h8-13H,7H2,1-6H3/t8?,9-,10?,11?,12?,13?/m1/s1.
What are the key properties of (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane?
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane is sourced from PubChem (CID 143806596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).