2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane

C18H32 — CID 123771823

IUPAC2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane
SMILESCC(C)C1CC1C(C)C1C(C)C2C(C)CC(C)C21
InChIInChI=1S/C18H32/c1-9(2)14-8-15(14)12(5)18-13(6)16-10(3)7-11(4)17(16)18/h9-18H,7-8H2,1-6H3
InChIKeyHMYBSKYIPCMJIQ-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.09
Rot. Bonds3

About 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane

2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane (PubChem CID 123771823) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane
PubChem CID123771823
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane
SMILESCC(C)C1CC1C(C)C1C(C)C2C(C)CC(C)C21
InChIInChI=1S/C18H32/c1-9(2)14-8-15(14)12(5)18-13(6)16-10(3)7-11(4)17(16)18/h9-18H,7-8H2,1-6H3
InChIKeyHMYBSKYIPCMJIQ-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123798468
5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane
CID 163855339
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
4,8,12,14-tetramethyl-5-propan-2-ylpentacyclo[8.6.0.02,9.03,6.013,16]hexadecane
CID 123539722
(1R,2R,3S,3aR,4S,5S,7aR)-2-[(1S)-1-[(1R,2S,4R,5S)-5-[(1R)-1-[(1R,2R,3S,3aR,4S,5S,7aR)-1,3,4,5,6,6,7,7-octamethyl-2,3,3a,4,5,7a-hexahydro-1H-inden-2-yl]ethyl]-2,3,4-trimethylcyclohexyl]ethyl]-1,3,4,5,6,6,7,7-octamethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
CID 91075149
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane
CID 164960438
(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane
CID 163485393
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane?
The IUPAC name of 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane (CID 123771823) is 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane.
What is the SMILES notation for 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane?
The canonical SMILES for 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane is CC(C)C1CC1C(C)C1C(C)C2C(C)CC(C)C21.
What is the InChIKey of 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane?
The InChIKey is HMYBSKYIPCMJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-9(2)14-8-15(14)12(5)18-13(6)16-10(3)7-11(4)17(16)18/h9-18H,7-8H2,1-6H3.
What are the key properties of 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane?
2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane has a molecular weight of 248.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane is sourced from PubChem (CID 123771823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).