3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane

C20H34 — CID 123276841

IUPAC3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane
SMILESCCC1(CC2(C(C)CCC(C)C)C3CC4C3C42)CC1C
InChIInChI=1S/C20H34/c1-6-19(10-14(19)5)11-20(13(4)8-7-12(2)3)16-9-15-17(16)18(15)20/h12-18H,6-11H2,1-5H3
InChIKeyJLFRHFAIBWFGCE-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.77
Rot. Bonds7

About 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane

3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane (PubChem CID 123276841) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane.

Molecular Properties

Compound Name3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane
PubChem CID123276841
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane
SMILESCCC1(CC2(C(C)CCC(C)C)C3CC4C3C42)CC1C
InChIInChI=1S/C20H34/c1-6-19(10-14(19)5)11-20(13(4)8-7-12(2)3)16-9-15-17(16)18(15)20/h12-18H,6-11H2,1-5H3
InChIKeyJLFRHFAIBWFGCE-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Fluoro-4-methyl-2-(3-methylbutan-2-yl)tricyclo[2.1.0.01,3]pentane
CID 154979729
7,7-Dimethyltetracyclo[3.2.0.01,6.02,6]heptane
CID 85727943
1,2,3,4,5,6,7,8-Octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane
CID 100929224
1,2-Di(cyclobutyl)-1,5-dipropylcyclopentane
CID 57140572
1-Butylprismane
CID 57166930
10-Propyltrispiro[2.0.0.25.24.33]dodecane
CID 57272615
1-Nonylprismane
CID 57277372
2-Cyclobutyl-1,8-dimethyl-2-propan-2-yldispiro[2.0.34.13]octane
CID 59850617
Cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane
CID 90701121
2',3,3',5-Tetramethylspiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]
CID 90726040
1-Ethyl-4-methyl-9-[3-methyl-4-(5-methylspiro[2.2]pentan-2-yl)butyl]tricyclo[5.2.0.02,5]nonane
CID 90776358
2-[2-[3-(2-Butan-2-yl-5-methyl-5-bicyclo[2.1.0]pentanyl)-4-methylhexan-2-yl]cyclopropyl]-2-methyl-5,5-di(propan-2-yl)bicyclo[2.1.0]pentane
CID 90789008

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane?
The IUPAC name of 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane (CID 123276841) is 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane.
What is the SMILES notation for 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane?
The canonical SMILES for 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane is CCC1(CC2(C(C)CCC(C)C)C3CC4C3C42)CC1C.
What is the InChIKey of 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane?
The InChIKey is JLFRHFAIBWFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-6-19(10-14(19)5)11-20(13(4)8-7-12(2)3)16-9-15-17(16)18(15)20/h12-18H,6-11H2,1-5H3.
What are the key properties of 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane?
3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane has a molecular weight of 274.49 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-2-methylcyclopropyl)methyl]-3-(5-methylhexan-2-yl)tricyclo[2.2.0.02,6]hexane is sourced from PubChem (CID 123276841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).