ethane;1-methyl-2-propan-2-ylcyclopropane

C13H32 — CID 143332059

IUPACethane;1-methyl-2-propan-2-ylcyclopropane
SMILESCC.CC.CC.CC(C)C1CC1C
InChIInChI=1S/C7H14.3C2H6/c1-5(2)7-4-6(7)3;3*1-2/h5-7H,4H2,1-3H3;3*1-2H3
InChIKeyYXCDPEADKRVRSW-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.38
Rot. Bonds1

About ethane;1-methyl-2-propan-2-ylcyclopropane

ethane;1-methyl-2-propan-2-ylcyclopropane (PubChem CID 143332059) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is ethane;1-methyl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Nameethane;1-methyl-2-propan-2-ylcyclopropane
PubChem CID143332059
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Nameethane;1-methyl-2-propan-2-ylcyclopropane
SMILESCC.CC.CC.CC(C)C1CC1C
InChIInChI=1S/C7H14.3C2H6/c1-5(2)7-4-6(7)3;3*1-2/h5-7H,4H2,1-3H3;3*1-2H3
InChIKeyYXCDPEADKRVRSW-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
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
acetylene;1,2-diethylcyclopropane;ethane;heptane;1-methyl-2-propan-2-ylcyclopropane
CID 143683759
1-(1-iodoethyl)-2-methylcyclopropane
CID 118947064
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 145198680

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-propan-2-ylcyclopropane?
The IUPAC name of ethane;1-methyl-2-propan-2-ylcyclopropane (CID 143332059) is ethane;1-methyl-2-propan-2-ylcyclopropane.
What is the SMILES notation for ethane;1-methyl-2-propan-2-ylcyclopropane?
The canonical SMILES for ethane;1-methyl-2-propan-2-ylcyclopropane is CC.CC.CC.CC(C)C1CC1C.
What is the InChIKey of ethane;1-methyl-2-propan-2-ylcyclopropane?
The InChIKey is YXCDPEADKRVRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.3C2H6/c1-5(2)7-4-6(7)3;3*1-2/h5-7H,4H2,1-3H3;3*1-2H3.
What are the key properties of ethane;1-methyl-2-propan-2-ylcyclopropane?
ethane;1-methyl-2-propan-2-ylcyclopropane has a molecular weight of 188.40 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 143332059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).