trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane

C10H20 — CID 55250338

IUPACtrans-(3S,5S)-1,1,3,5-tetramethylcyclohexane
SMILESC[C@H]1C[C@H](C)CC(C)(C)C1
InChIInChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyWOJSMJIXPQLESQ-IUCAKERBSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds

About trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane

trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane (PubChem CID 55250338) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane.

Molecular Properties

Compound Nametrans-(3S,5S)-1,1,3,5-tetramethylcyclohexane
PubChem CID55250338
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nametrans-(3S,5S)-1,1,3,5-tetramethylcyclohexane
SMILESC[C@H]1C[C@H](C)CC(C)(C)C1
InChIInChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyWOJSMJIXPQLESQ-IUCAKERBSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane?
The IUPAC name of trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane (CID 55250338) is trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane.
What is the SMILES notation for trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane?
The canonical SMILES for trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane is C[C@H]1C[C@H](C)CC(C)(C)C1.
What is the InChIKey of trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane?
The InChIKey is WOJSMJIXPQLESQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane?
trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane is sourced from PubChem (CID 55250338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).