(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene

C11H16 — CID 140862858

IUPAC(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC1CC2C=CC=CC2[C@H]1C
InChIInChI=1S/C11H16/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3-6,8-11H,7H2,1-2H3/t8?,9-,10?,11?/m0/s1
InChIKeyGBVMZTSUUBFWMB-ZQOALKFFSA-N
MW148.25 g/mol
LogP3.02
Rot. Bonds

About (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene

(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 140862858) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID140862858
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC1CC2C=CC=CC2[C@H]1C
InChIInChI=1S/C11H16/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3-6,8-11H,7H2,1-2H3/t8?,9-,10?,11?/m0/s1
InChIKeyGBVMZTSUUBFWMB-ZQOALKFFSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
carbanide;chloro-cyclopentyl-methylboranuide;dichlorozirconium(2+);1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene;chloride
CID 162295060
(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 156675189
tert-butyl-dimethyl-[(1-methyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]silane
CID 20678371
1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine
CID 166025894
tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene
CID 59047597
1-bromo-2-ethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91609327
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298480
9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 18783453
2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
CID 143180898
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994

Frequently Asked Questions

What is the IUPAC name of (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 140862858) is (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene is CC1CC2C=CC=CC2[C@H]1C.
What is the InChIKey of (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is GBVMZTSUUBFWMB-ZQOALKFFSA-N. The full InChI is InChI=1S/C11H16/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3-6,8-11H,7H2,1-2H3/t8?,9-,10?,11?/m0/s1.
What are the key properties of (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene?
(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 148.25 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 140862858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).