(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane

C12H24 — CID 166124501

IUPAC(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
SMILESCC[C@H]1C[C@@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H24/c1-5-11-8-10(4)6-7-12(11)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11-,12-/m0/s1
InChIKeyHNYFEORMSRCVEH-SRVKXCTJSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds2

About (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane

(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 166124501) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
PubChem CID166124501
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
SMILESCC[C@H]1C[C@@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H24/c1-5-11-8-10(4)6-7-12(11)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11-,12-/m0/s1
InChIKeyHNYFEORMSRCVEH-SRVKXCTJSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
CID 66471064
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
2-ethyl-4-methyl-1-propan-2-ylcyclohexane;formamido acetate
CID 87523406
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 165497815
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl 2-aminoacetate
CID 153428354
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
5-(5-methyl-2-propan-2-ylcyclohexyl)pent-2-en-1-ol
CID 174145387
2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
CID 141258734

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane (CID 166124501) is (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane is CC[C@H]1C[C@@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is HNYFEORMSRCVEH-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H24/c1-5-11-8-10(4)6-7-12(11)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11-,12-/m0/s1.
What are the key properties of (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane?
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 166124501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).