1,2,3-trimethyl-4-propylcyclobutane

C10H20 — CID 90876457

IUPAC1,2,3-trimethyl-4-propylcyclobutane
SMILESCCCC1C(C)C(C)C1C
InChIInChI=1S/C10H20/c1-5-6-10-8(3)7(2)9(10)4/h7-10H,5-6H2,1-4H3
InChIKeyBKLWLYPDIZQQOY-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.32
Rot. Bonds2

About 1,2,3-trimethyl-4-propylcyclobutane

1,2,3-trimethyl-4-propylcyclobutane (PubChem CID 90876457) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-propylcyclobutane.

Molecular Properties

Compound Name1,2,3-trimethyl-4-propylcyclobutane
PubChem CID90876457
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1,2,3-trimethyl-4-propylcyclobutane
SMILESCCCC1C(C)C(C)C1C
InChIInChI=1S/C10H20/c1-5-6-10-8(3)7(2)9(10)4/h7-10H,5-6H2,1-4H3
InChIKeyBKLWLYPDIZQQOY-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3-trimethyl-4-propylcyclobutane 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

1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
cis-(2R,3S)-2-methyl-3-propylcyclopropan-1-amine
CID 163640709
1,2-dimethyl-3-pentylcyclopropane
CID 524654
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 59116018
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 59917128
propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
CID 162289417
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-propylcyclobutane?
The IUPAC name of 1,2,3-trimethyl-4-propylcyclobutane (CID 90876457) is 1,2,3-trimethyl-4-propylcyclobutane.
What is the SMILES notation for 1,2,3-trimethyl-4-propylcyclobutane?
The canonical SMILES for 1,2,3-trimethyl-4-propylcyclobutane is CCCC1C(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-4-propylcyclobutane?
The InChIKey is BKLWLYPDIZQQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-5-6-10-8(3)7(2)9(10)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,2,3-trimethyl-4-propylcyclobutane?
1,2,3-trimethyl-4-propylcyclobutane has a molecular weight of 140.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-propylcyclobutane is sourced from PubChem (CID 90876457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).