2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane

C16H28 — CID 123283169

IUPAC2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane
SMILESCCCCCC1C(C)C2C1C2C1(C)CCC1
InChIInChI=1S/C16H28/c1-4-5-6-8-12-11(2)13-14(12)15(13)16(3)9-7-10-16/h11-15H,4-10H2,1-3H3
InChIKeyBQQBUFXIGNHZSD-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.89
Rot. Bonds5

About 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane

2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane (PubChem CID 123283169) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane
PubChem CID123283169
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane
SMILESCCCCCC1C(C)C2C1C2C1(C)CCC1
InChIInChI=1S/C16H28/c1-4-5-6-8-12-11(2)13-14(12)15(13)16(3)9-7-10-16/h11-15H,4-10H2,1-3H3
InChIKeyBQQBUFXIGNHZSD-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-pentylcyclopropane
CID 524654
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
CID 123185482
(4S)-2-methyl-3-pentyl-5-oxabicyclo[2.1.1]hexane
CID 147411866
5-heptyl-1-methylbicyclo[5.1.0]octane
CID 143295924
1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane
CID 123649878
1-methyl-2-pentan-2-yl-3-pentylcyclopropane
CID 91342380
2-decylbicyclo[1.1.0]butane
CID 123632675
1-butan-2-yl-3-hexyl-1,2-dimethylcyclobutane
CID 123458132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane?
The IUPAC name of 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane (CID 123283169) is 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane?
The canonical SMILES for 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane is CCCCCC1C(C)C2C1C2C1(C)CCC1.
What is the InChIKey of 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane?
The InChIKey is BQQBUFXIGNHZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-4-5-6-8-12-11(2)13-14(12)15(13)16(3)9-7-10-16/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane?
2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane has a molecular weight of 220.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123283169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).