2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane

C16H26 — CID 123666507

IUPAC2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane
SMILESCC(C)C(CC1C(C)C2CC12)C1CC2CC21
InChIInChI=1S/C16H26/c1-8(2)11(15-5-10-4-14(10)15)6-12-9(3)13-7-16(12)13/h8-16H,4-7H2,1-3H3
InChIKeyNYFWTNHLHLWFEO-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.21
Rot. Bonds4

About 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane

2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane (PubChem CID 123666507) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane
PubChem CID123666507
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane
SMILESCC(C)C(CC1C(C)C2CC12)C1CC2CC21
InChIInChI=1S/C16H26/c1-8(2)11(15-5-10-4-14(10)15)6-12-9(3)13-7-16(12)13/h8-16H,4-7H2,1-3H3
InChIKeyNYFWTNHLHLWFEO-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol
CID 89099272
CID 90903151
CID 90903151
2-(2-methylpropyl)bicyclo[1.1.0]butane
CID 123355318
1-(2-ethyl-3-bicyclo[3.1.0]hexanyl)ethanol
CID 89331545
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 20721971
1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 145198680
3-methyl-2-(2-methylcyclopropyl)butan-1-amine
CID 123264765
2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane
CID 59941268
(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
CID 159924784
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
(1R,2R)-3-cyclopropyl-2-methylbicyclo[3.1.0]hexane
CID 163692624

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane?
The IUPAC name of 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane (CID 123666507) is 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane?
The canonical SMILES for 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane is CC(C)C(CC1C(C)C2CC12)C1CC2CC21.
What is the InChIKey of 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane?
The InChIKey is NYFWTNHLHLWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-8(2)11(15-5-10-4-14(10)15)6-12-9(3)13-7-16(12)13/h8-16H,4-7H2,1-3H3.
What are the key properties of 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane?
2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane has a molecular weight of 218.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.1.0]pentanyl)-3-methylbutyl]-3-methylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123666507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).