ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]

C17H28 — CID 143517020

IUPACethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]
SMILESCC.CC.Cc1ccc2c(c1)CC1(CCC1)C2
InChIInChI=1S/C13H16.2C2H6/c1-10-3-4-11-8-13(5-2-6-13)9-12(11)7-10;2*1-2/h3-4,7H,2,5-6,8-9H2,1H3;2*1-2H3
InChIKeyRQOVUUXJKMXHQG-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.32
Rot. Bonds

About ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]

ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane] (PubChem CID 143517020) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane].

Molecular Properties

Compound Nameethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]
PubChem CID143517020
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nameethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]
SMILESCC.CC.Cc1ccc2c(c1)CC1(CCC1)C2
InChIInChI=1S/C13H16.2C2H6/c1-10-3-4-11-8-13(5-2-6-13)9-12(11)7-10;2*1-2/h3-4,7H,2,5-6,8-9H2,1H3;2*1-2H3
InChIKeyRQOVUUXJKMXHQG-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane] 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

2,2-difluoro-5-methyl-1,3-dihydroindene
CID 138628579
(2,5-dimethyl-1,3-dihydroinden-2-yl) formate
CID 164851564
2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
CID 84719506
6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane
CID 166872891
7-methylspiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one
CID 170134760
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate
CID 125481919
(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
CID 157223751
6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one
CID 115010954
2,2,5-trimethyl-1,3-dihydroisoindol-2-ium
CID 34243596
6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012486

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]?
The IUPAC name of ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane] (CID 143517020) is ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane].
What is the SMILES notation for ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]?
The canonical SMILES for ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane] is CC.CC.Cc1ccc2c(c1)CC1(CCC1)C2.
What is the InChIKey of ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]?
The InChIKey is RQOVUUXJKMXHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.2C2H6/c1-10-3-4-11-8-13(5-2-6-13)9-12(11)7-10;2*1-2/h3-4,7H,2,5-6,8-9H2,1H3;2*1-2H3.
What are the key properties of ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]?
ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane] has a molecular weight of 232.41 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane] is sourced from PubChem (CID 143517020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).