[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane

C13H22 — CID 91539241

IUPAC[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane
SMILESCC1(C2CC2C2CCCCC2)CC1
InChIInChI=1S/C13H22/c1-13(7-8-13)12-9-11(12)10-5-3-2-4-6-10/h10-12H,2-9H2,1H3
InChIKeyCMLJISSATSSQRS-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.00
Rot. Bonds2

About [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane

[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane (PubChem CID 91539241) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane.

Molecular Properties

Compound Name[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane
PubChem CID91539241
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane
SMILESCC1(C2CC2C2CCCCC2)CC1
InChIInChI=1S/C13H22/c1-13(7-8-13)12-9-11(12)10-5-3-2-4-6-10/h10-12H,2-9H2,1H3
InChIKeyCMLJISSATSSQRS-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-methylcyclopropyl)cyclooctane
CID 19768877
acetylene;(8R,9R,10S,13S,14S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 173234052
(9S,13S)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452993
(9R,13S)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452990
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
1-bromotricyclo[3.3.1.02,4]nonane;hydrate
CID 141028799
(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
CID 166092042
8-(1-cyclohexylethyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 57123873
(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
CID 140752694
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane?
The IUPAC name of [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane (CID 91539241) is [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane.
What is the SMILES notation for [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane?
The canonical SMILES for [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane is CC1(C2CC2C2CCCCC2)CC1.
What is the InChIKey of [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane?
The InChIKey is CMLJISSATSSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-13(7-8-13)12-9-11(12)10-5-3-2-4-6-10/h10-12H,2-9H2,1H3.
What are the key properties of [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane?
[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylcyclopropyl)cyclopropyl]cyclohexane is sourced from PubChem (CID 91539241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).