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

C20H42 — CID 158573077

IUPACbenzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane
SMILESC.C.CC.CC.C[C@@H]1CCC[C@H](C)C1.c1ccccc1
InChIInChI=1S/C8H16.C6H6.2C2H6.2CH4/c1-7-4-3-5-8(2)6-7;1-2-4-6-5-3-1;2*1-2;;/h7-8H,3-6H2,1-2H3;1-6H;2*1-2H3;2*1H4/t7-,8+;;;;;
InChIKeyHSIAAXJUUQTFCW-XYOYEMTKSA-N
MW282.56 g/mol
LogP7.84
Rot. Bonds

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

benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane (PubChem CID 158573077) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane.

Molecular Properties

Compound Namebenzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane
PubChem CID158573077
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Namebenzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane
SMILESC.C.CC.CC.C[C@@H]1CCC[C@H](C)C1.c1ccccc1
InChIInChI=1S/C8H16.C6H6.2C2H6.2CH4/c1-7-4-3-5-8(2)6-7;1-2-4-6-5-3-1;2*1-2;;/h7-8H,3-6H2,1-2H3;1-6H;2*1-2H3;2*1H4/t7-,8+;;;;;
InChIKeyHSIAAXJUUQTFCW-XYOYEMTKSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1,3-dimethylcyclohexane
CID 12594306
CID 175388606
CID 175388606
cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene
CID 157490962
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
cyclobutane;ethane;methylcyclobutane
CID 158121682
1,3,5-trimethylcyclododecane
CID 123355776
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
cyclooctane;methylcyclobutane
CID 159456217
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975

Frequently Asked Questions

What is the IUPAC name of benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane?
The IUPAC name of benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane (CID 158573077) is benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane.
What is the SMILES notation for benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane?
The canonical SMILES for benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane is C.C.CC.CC.C[C@@H]1CCC[C@H](C)C1.c1ccccc1.
What is the InChIKey of benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane?
The InChIKey is HSIAAXJUUQTFCW-XYOYEMTKSA-N. The full InChI is InChI=1S/C8H16.C6H6.2C2H6.2CH4/c1-7-4-3-5-8(2)6-7;1-2-4-6-5-3-1;2*1-2;;/h7-8H,3-6H2,1-2H3;1-6H;2*1-2H3;2*1H4/t7-,8+;;;;;.
What are the key properties of benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane?
benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane has a molecular weight of 282.56 g/mol, XLogP of 7.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane is sourced from PubChem (CID 158573077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).