(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane

C12H22 — CID 157314245

IUPAC(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane
SMILESC=C1CC[C@@H](C)[C@](C)(CC)[C@H]1C
InChIInChI=1S/C12H22/c1-6-12(5)10(3)8-7-9(2)11(12)4/h10-11H,2,6-8H2,1,3-5H3/t10-,11+,12+/m1/s1
InChIKeyAFAHDKHRDKZVPU-WOPDTQHZSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds1

About (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane

(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane (PubChem CID 157314245) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane.

Molecular Properties

Compound Name(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane
PubChem CID157314245
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane
SMILESC=C1CC[C@@H](C)[C@](C)(CC)[C@H]1C
InChIInChI=1S/C12H22/c1-6-12(5)10(3)8-7-9(2)11(12)4/h10-11H,2,6-8H2,1,3-5H3/t10-,11+,12+/m1/s1
InChIKeyAFAHDKHRDKZVPU-WOPDTQHZSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine
CID 143547151
1-methyl-2-methylidenecyclobutane
CID 20800914
1-(2,2,3-trimethyl-6-methylidenecyclohexyl)propan-2-one
CID 86124807
1,2-dimethyl-3-methylidenecyclopentane
CID 529615
1-ethyl-2-(methoxymethyl)-1,5-dimethylcyclopentane
CID 177139058
2,3-dimethyl-6-methylideneoxan-2-ol
CID 22948704
6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane
CID 143720874
(1R,1aR,4aS,6R,7aR,7bS)-1,6-dimethyl-4-methylidene-1-propyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 162835435
2-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethanol
CID 53255344
(1S,2S,3R)-2-(hydroxymethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexan-1-ol
CID 139038734
1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol
CID 143539259
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane?
The IUPAC name of (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane (CID 157314245) is (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane.
What is the SMILES notation for (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane?
The canonical SMILES for (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane is C=C1CC[C@@H](C)[C@](C)(CC)[C@H]1C.
What is the InChIKey of (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane?
The InChIKey is AFAHDKHRDKZVPU-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H22/c1-6-12(5)10(3)8-7-9(2)11(12)4/h10-11H,2,6-8H2,1,3-5H3/t10-,11+,12+/m1/s1.
What are the key properties of (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane?
(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane is sourced from PubChem (CID 157314245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).