(5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene

C11H16 — CID 58622710

IUPAC(5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESC[C@H]1CC2=C(CC=C2)C[C@@H]1C
InChIInChI=1S/C11H16/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyBRNJLAHNESIEQO-IUCAKERBSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds

About (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene

(5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 58622710) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name(5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene
PubChem CID58622710
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESC[C@H]1CC2=C(CC=C2)C[C@@H]1C
InChIInChI=1S/C11H16/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyBRNJLAHNESIEQO-IUCAKERBSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)
CID 161433387
3-methyl-3,4,7,8-tetrahydro-1H-isochromene
CID 145476057
3,6-dihydro-1H-cyclopenta[c]pyrrol-2-ide;tungsten
CID 160620115
2,3-dihydro-1H-indene;4,5,6,7-tetrahydro-1H-indene
CID 144525193
octane;4,5,6,7-tetrahydro-1H-indene
CID 175604170
4-cyclopent-3-en-1-ylidenecyclopentene
CID 59987840
2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine
CID 59576841
diphosphanyl-[(4S,5S)-4-methyl-4,5,6,7-tetrahydro-3H-inden-5-yl]-phosphanylphosphane
CID 58622787
diphosphanyl-(4-methyl-4,5,6,7-tetrahydro-3H-inden-5-yl)-phosphanylphosphane
CID 59020015
2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
CID 101316618
2-but-1-enyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene
CID 123505407
1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 89175619

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene (CID 58622710) is (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene is C[C@H]1CC2=C(CC=C2)C[C@@H]1C.
What is the InChIKey of (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is BRNJLAHNESIEQO-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene?
(5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 148.25 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 58622710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).