cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane

C16H32 — CID 170936839

IUPACcis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane
SMILESCCC1(CC)CCC(CC)(CC)[C@@H](C)[C@H]1C
InChIInChI=1S/C16H32/c1-7-15(8-2)11-12-16(9-3,10-4)14(6)13(15)5/h13-14H,7-12H2,1-6H3/t13-,14+
InChIKeyWWUZLFQOBWYEKV-OKILXGFUSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds4

About cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane

cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane (PubChem CID 170936839) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane.

Molecular Properties

Compound Namecis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane
PubChem CID170936839
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Namecis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane
SMILESCCC1(CC)CCC(CC)(CC)[C@@H](C)[C@H]1C
InChIInChI=1S/C16H32/c1-7-15(8-2)11-12-16(9-3,10-4)14(6)13(15)5/h13-14H,7-12H2,1-6H3/t13-,14+
InChIKeyWWUZLFQOBWYEKV-OKILXGFUSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3-triethyl-2-methylcyclopentane
CID 123903996
3-(bromomethyl)-3-ethyl-2-methyloxolane
CID 114535961
(3-ethyl-2-methyloxolan-3-yl)methanamine
CID 114533945
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
2,2-diethylcyclopentan-1-amine
CID 165447049
1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine
CID 114534117
3,3-diethyl-1,2-dimethylpiperidine;ethane;propane
CID 165123719
1-ethyl-2-methyl-1-[2-(1-methylcyclopropyl)propyl]cyclopropane
CID 123170471
1-ethyl-1-(2-methoxyethyl)-2-methylcyclopropane
CID 164557776
5,8-dimethylspiro[3.4]octane;propane
CID 90899958
1-(2,4-dimethylpentyl)-1-ethyl-2,3-dimethylcyclobutane
CID 123458596
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane?
The IUPAC name of cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane (CID 170936839) is cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane.
What is the SMILES notation for cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane?
The canonical SMILES for cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane is CCC1(CC)CCC(CC)(CC)[C@@H](C)[C@H]1C.
What is the InChIKey of cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane?
The InChIKey is WWUZLFQOBWYEKV-OKILXGFUSA-N. The full InChI is InChI=1S/C16H32/c1-7-15(8-2)11-12-16(9-3,10-4)14(6)13(15)5/h13-14H,7-12H2,1-6H3/t13-,14+.
What are the key properties of cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane?
cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane is sourced from PubChem (CID 170936839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).