trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane

C14H28 — CID 142957322

IUPACtrans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
SMILESCCC(C)C1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C14H28/c1-6-12(5)14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3/t11-,12?,13+,14?/m1/s1
InChIKeyIZKIHCJUGNSYOT-ZIHBUVQPSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds3

About trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane

trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 142957322) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
PubChem CID142957322
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nametrans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
SMILESCCC(C)C1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C14H28/c1-6-12(5)14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3/t11-,12?,13+,14?/m1/s1
InChIKeyIZKIHCJUGNSYOT-ZIHBUVQPSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
CID 174606217
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
(5-methyl-2-propan-2-ylcyclohexyl) 3-(5-methyl-2-propan-2-ylcyclohexyl)butanoate
CID 23619357
tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 71403532
(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol
CID 15984657
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237

Frequently Asked Questions

What is the IUPAC name of trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane (CID 142957322) is trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane is CCC(C)C1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is IZKIHCJUGNSYOT-ZIHBUVQPSA-N. The full InChI is InChI=1S/C14H28/c1-6-12(5)14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3/t11-,12?,13+,14?/m1/s1.
What are the key properties of trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane?
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 142957322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).