1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene

C13H17Cl — CID 115483289

IUPAC1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene
SMILESCc1cc2c(cc1C)C(C)(C)CC2Cl
InChIInChI=1S/C13H17Cl/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6,12H,7H2,1-4H3
InChIKeyBVTOQSDRLMDXRV-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.26
Rot. Bonds

About 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene

1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene (PubChem CID 115483289) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene.

Molecular Properties

Compound Name1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene
PubChem CID115483289
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene
SMILESCc1cc2c(cc1C)C(C)(C)CC2Cl
InChIInChI=1S/C13H17Cl/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6,12H,7H2,1-4H3
InChIKeyBVTOQSDRLMDXRV-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
CID 115483170
1-chloro-6-fluoro-3,3,4,7-tetramethyl-1,2-dihydroindene
CID 131048394
3-chloro-5-methoxy-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
CID 79837495
3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
CID 79838258
1-(3-bromo-1-methylcyclopentyl)-2,4,5-trimethylbenzene
CID 116540535
1a,2,5,6-tetramethyl-1,7b-dihydrocyclopropa[a]naphthalene
CID 142925829
5-chloro-3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulene
CID 63513554
5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
CID 79838516
(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 7055831
1,3,3-trimethyl-1,2-dihydroinden-5-ol
CID 18183555
1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol
CID 142958828
2,3,6,7,9,9-hexamethylfluorene
CID 59701923

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene?
The IUPAC name of 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene (CID 115483289) is 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene.
What is the SMILES notation for 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene?
The canonical SMILES for 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene is Cc1cc2c(cc1C)C(C)(C)CC2Cl.
What is the InChIKey of 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene?
The InChIKey is BVTOQSDRLMDXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene?
1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene has a molecular weight of 208.73 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene is sourced from PubChem (CID 115483289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).