trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane

C13H26 — CID 59970292

IUPACtrans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane
SMILESCC(C)[C@]1(C)C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C13H26/c1-10(2)13(6)8-11(3)7-12(4,5)9-13/h10-11H,7-9H2,1-6H3/t11-,13+/m0/s1
InChIKeyRDVLPTFNJRAYBA-WCQYABFASA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds1

About trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane

trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane (PubChem CID 59970292) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane
PubChem CID59970292
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nametrans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane
SMILESCC(C)[C@]1(C)C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C13H26/c1-10(2)13(6)8-11(3)7-12(4,5)9-13/h10-11H,7-9H2,1-6H3/t11-,13+/m0/s1
InChIKeyRDVLPTFNJRAYBA-WCQYABFASA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
CID 124582887
1,1,3-trimethylcyclobutane
CID 12656861
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
CID 59482332
1-bromo-3,3,5-trimethyl-1-(2-methylpropyl)cyclohexane
CID 143368968
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile
CID 165459414
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
1-ethenyl-1,3,3,5-tetramethylcyclohexane
CID 20692079
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol
CID 83157507

Frequently Asked Questions

What is the IUPAC name of trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane?
The IUPAC name of trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane (CID 59970292) is trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane.
What is the SMILES notation for trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane?
The canonical SMILES for trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane is CC(C)[C@]1(C)C[C@@H](C)CC(C)(C)C1.
What is the InChIKey of trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane?
The InChIKey is RDVLPTFNJRAYBA-WCQYABFASA-N. The full InChI is InChI=1S/C13H26/c1-10(2)13(6)8-11(3)7-12(4,5)9-13/h10-11H,7-9H2,1-6H3/t11-,13+/m0/s1.
What are the key properties of trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane?
trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane is sourced from PubChem (CID 59970292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).