cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane

C20H50 — CID 158862378

IUPACcis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
SMILESC.C.CC.CC.CC.CC(C)[C@H]1C[C@@H]1C.C[C@@H]1C[C@@H]1C
InChIInChI=1S/C7H14.C5H10.3C2H6.2CH4/c1-5(2)7-4-6(7)3;1-4-3-5(4)2;3*1-2;;/h5-7H,4H2,1-3H3;4-5H,3H2,1-2H3;3*1-2H3;2*1H4/t6-,7+;4-,5+;;;;;/m0....../s1
InChIKeyJAUQRYDRMMPTJM-RCYLZRTDSA-N
MW290.62 g/mol
LogP8.31
Rot. Bonds1

About cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane

cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane (PubChem CID 158862378) has the molecular formula C20H50 and a molecular weight of 290.62 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
PubChem CID158862378
Molecular FormulaC20H50
Molecular Weight290.62 g/mol
Exact Mass290.39
IUPAC Namecis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
SMILESC.C.CC.CC.CC.CC(C)[C@H]1C[C@@H]1C.C[C@@H]1C[C@@H]1C
InChIInChI=1S/C7H14.C5H10.3C2H6.2CH4/c1-5(2)7-4-6(7)3;1-4-3-5(4)2;3*1-2;;/h5-7H,4H2,1-3H3;4-5H,3H2,1-2H3;3*1-2H3;2*1H4/t6-,7+;4-,5+;;;;;/m0....../s1
InChIKeyJAUQRYDRMMPTJM-RCYLZRTDSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.62
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane with MolForge

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Related Compounds

ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123798468
1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
CID 142876952
1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
CID 177164103
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658128
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane
CID 143683759
1-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273893
1-(1-iodoethyl)-2-methylcyclopropane
CID 118947064

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane?
The IUPAC name of cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane (CID 158862378) is cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane.
What is the SMILES notation for cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane?
The canonical SMILES for cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane is C.C.CC.CC.CC.CC(C)[C@H]1C[C@@H]1C.C[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane?
The InChIKey is JAUQRYDRMMPTJM-RCYLZRTDSA-N. The full InChI is InChI=1S/C7H14.C5H10.3C2H6.2CH4/c1-5(2)7-4-6(7)3;1-4-3-5(4)2;3*1-2;;/h5-7H,4H2,1-3H3;4-5H,3H2,1-2H3;3*1-2H3;2*1H4/t6-,7+;4-,5+;;;;;/m0....../s1.
What are the key properties of cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane?
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane has a molecular weight of 290.62 g/mol, XLogP of 8.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 158862378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).