trans-(1S,3S)-1,3-dimethylcyclooctane

C10H20 — CID 6427537

IUPACtrans-(1S,3S)-1,3-dimethylcyclooctane
SMILESC[C@H]1CCCCC[C@H](C)C1
InChIInChI=1S/C10H20/c1-9-6-4-3-5-7-10(2)8-9/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyINRXLPZJJKVZAV-UWVGGRQHSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds

About trans-(1S,3S)-1,3-dimethylcyclooctane

trans-(1S,3S)-1,3-dimethylcyclooctane (PubChem CID 6427537) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is trans-(1S,3S)-1,3-dimethylcyclooctane.

Molecular Properties

Compound Nametrans-(1S,3S)-1,3-dimethylcyclooctane
PubChem CID6427537
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nametrans-(1S,3S)-1,3-dimethylcyclooctane
SMILESC[C@H]1CCCCC[C@H](C)C1
InChIInChI=1S/C10H20/c1-9-6-4-3-5-7-10(2)8-9/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyINRXLPZJJKVZAV-UWVGGRQHSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,5-trimethylcyclododecane
CID 123355776
(1R)-1,3-dimethylcyclohexane
CID 12594306
CID 175388606
CID 175388606
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
gallane;methylcyclohexane
CID 174461507
cyclooctane;methylcyclobutane
CID 159456217
methylcyclopentane
CID 7296
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1,3-dimethylcyclooctane?
The IUPAC name of trans-(1S,3S)-1,3-dimethylcyclooctane (CID 6427537) is trans-(1S,3S)-1,3-dimethylcyclooctane.
What is the SMILES notation for trans-(1S,3S)-1,3-dimethylcyclooctane?
The canonical SMILES for trans-(1S,3S)-1,3-dimethylcyclooctane is C[C@H]1CCCCC[C@H](C)C1.
What is the InChIKey of trans-(1S,3S)-1,3-dimethylcyclooctane?
The InChIKey is INRXLPZJJKVZAV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20/c1-9-6-4-3-5-7-10(2)8-9/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,3S)-1,3-dimethylcyclooctane?
trans-(1S,3S)-1,3-dimethylcyclooctane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1,3-dimethylcyclooctane is sourced from PubChem (CID 6427537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).