cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene

C20H38 — CID 157490962

IUPACcis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene
SMILESCC.CC.C[C@@H]1CCC[C@H](C)C1.Cc1cccc(C)c1
InChIInChI=1S/C8H16.C8H10.2C2H6/c2*1-7-4-3-5-8(2)6-7;2*1-2/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*1-2H3/t7-,8+;;;
InChIKeyBXGPZJRJNQWTRW-UZCMYEMWSA-N
MW278.52 g/mol
LogP7.19
Rot. Bonds

About cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene

cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene (PubChem CID 157490962) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene.

Molecular Properties

Compound Namecis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene
PubChem CID157490962
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Namecis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene
SMILESCC.CC.C[C@@H]1CCC[C@H](C)C1.Cc1cccc(C)c1
InChIInChI=1S/C8H16.C8H10.2C2H6/c2*1-7-4-3-5-8(2)6-7;2*1-2/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*1-2H3/t7-,8+;;;
InChIKeyBXGPZJRJNQWTRW-UZCMYEMWSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methylcyclopentane;1,3-xylene
CID 142361462
ethane;methylcyclopropane;1,3-xylene
CID 142338532
1,3-dimethylcyclohexane;methylcyclobutane;methylcyclohexane;methylcyclopentane;1,2,3,5-tetramethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161051504
benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane
CID 158573077
ethane;1,3-xylene
CID 54570178
benzene;cyclohexane;fluorobenzene;1-fluoro-3-methylbenzene;1-fluoro-3-methylcyclohexane;methylcyclohexane
CID 161202897
ethane;methane;1,3-xylene
CID 145463381
(1R)-1,3-dimethylcyclohexane
CID 12594306
methylcyclopentane;1,3,5-trimethylbenzene
CID 159091428
ethane;methanol;1,3-xylene
CID 156743127
ethane;1,3-xylene;1,4-xylene
CID 145425556
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene?
The IUPAC name of cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene (CID 157490962) is cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene.
What is the SMILES notation for cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene?
The canonical SMILES for cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene is CC.CC.C[C@@H]1CCC[C@H](C)C1.Cc1cccc(C)c1.
What is the InChIKey of cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene?
The InChIKey is BXGPZJRJNQWTRW-UZCMYEMWSA-N. The full InChI is InChI=1S/C8H16.C8H10.2C2H6/c2*1-7-4-3-5-8(2)6-7;2*1-2/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*1-2H3/t7-,8+;;;.
What are the key properties of cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene?
cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene has a molecular weight of 278.52 g/mol, XLogP of 7.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene is sourced from PubChem (CID 157490962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).