(2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane

C13H25Cl — CID 172615198

IUPAC(2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
SMILESCCC.C[C@@H]1CC2CCC(Cl)CC2C1
InChIInChI=1S/C10H17Cl.C3H8/c1-7-4-8-2-3-10(11)6-9(8)5-7;1-3-2/h7-10H,2-6H2,1H3;3H2,1-2H3/t7-,8?,9?,10?;/m1./s1
InChIKeyIKHHZUJGJRXCDZ-JFDBYUFQSA-N
MW216.80 g/mol
LogP4.86
Rot. Bonds

About (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane

(2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane (PubChem CID 172615198) has the molecular formula C13H25Cl and a molecular weight of 216.80 g/mol. Its IUPAC name is (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane.

Molecular Properties

Compound Name(2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
PubChem CID172615198
Molecular FormulaC13H25Cl
Molecular Weight216.80 g/mol
Exact Mass216.16
IUPAC Name(2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
SMILESCCC.C[C@@H]1CC2CCC(Cl)CC2C1
InChIInChI=1S/C10H17Cl.C3H8/c1-7-4-8-2-3-10(11)6-9(8)5-7;1-3-2/h7-10H,2-6H2,1H3;3H2,1-2H3/t7-,8?,9?,10?;/m1./s1
InChIKeyIKHHZUJGJRXCDZ-JFDBYUFQSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.80
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane 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-chloro-3-(3-methylcyclohexyl)cyclohexane
CID 64514707
5-chloro-2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130804481
5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran;propane
CID 164925413
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
4-(3-chlorocyclopentyl)oxane
CID 64515417
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115016227
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
5-chloro-2-(2-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130987557

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane?
The IUPAC name of (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane (CID 172615198) is (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane.
What is the SMILES notation for (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane?
The canonical SMILES for (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane is CCC.C[C@@H]1CC2CCC(Cl)CC2C1.
What is the InChIKey of (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane?
The InChIKey is IKHHZUJGJRXCDZ-JFDBYUFQSA-N. The full InChI is InChI=1S/C10H17Cl.C3H8/c1-7-4-8-2-3-10(11)6-9(8)5-7;1-3-2/h7-10H,2-6H2,1H3;3H2,1-2H3/t7-,8?,9?,10?;/m1./s1.
What are the key properties of (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane?
(2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane has a molecular weight of 216.80 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane is sourced from PubChem (CID 172615198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).