6-methyl-1,2,3,5-tetrahydro-as-indacene

C13H14 — CID 141475755

IUPAC6-methyl-1,2,3,5-tetrahydro-as-indacene
SMILESCC1=C2CC=C3CCCC3=C2C=C1
InChIInChI=1S/C13H14/c1-9-5-7-13-11(9)8-6-10-3-2-4-12(10)13/h5-7H,2-4,8H2,1H3
InChIKeyNERFIKBKUFZHII-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.68
Rot. Bonds

About 6-methyl-1,2,3,5-tetrahydro-as-indacene

6-methyl-1,2,3,5-tetrahydro-as-indacene (PubChem CID 141475755) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-methyl-1,2,3,5-tetrahydro-as-indacene.

Molecular Properties

Compound Name6-methyl-1,2,3,5-tetrahydro-as-indacene
PubChem CID141475755
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name6-methyl-1,2,3,5-tetrahydro-as-indacene
SMILESCC1=C2CC=C3CCCC3=C2C=C1
InChIInChI=1S/C13H14/c1-9-5-7-13-11(9)8-6-10-3-2-4-12(10)13/h5-7H,2-4,8H2,1H3
InChIKeyNERFIKBKUFZHII-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one
CID 131236041
ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
CID 142044962
5-(4-methylphenyl)-3,6,7,8-tetrahydro-2H-azulen-1-one
CID 10933561
[dimethyl(4,5,6,7-tetrahydro-1H-inden-1-yl)silyl]-dimethyl-(4,5,6,7-tetrahydro-2H-inden-1-yl)silane
CID 57002022
2-methyl-7-phenyl-5,6-dihydro-4H-indene
CID 139888685
3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde
CID 174827968
3-methyl-1,5,6,7-tetrahydroinden-4-one
CID 142181977
6-methylbicyclo[3.2.0]hepta-1(5),6-diene
CID 91189897
3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 83390782
2,6-bis(4-bromocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one
CID 171487235
2-methyl-4,5,6,7-tetrahydroinden-1-one
CID 142636804
(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane
CID 142404527

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,5-tetrahydro-as-indacene?
The IUPAC name of 6-methyl-1,2,3,5-tetrahydro-as-indacene (CID 141475755) is 6-methyl-1,2,3,5-tetrahydro-as-indacene.
What is the SMILES notation for 6-methyl-1,2,3,5-tetrahydro-as-indacene?
The canonical SMILES for 6-methyl-1,2,3,5-tetrahydro-as-indacene is CC1=C2CC=C3CCCC3=C2C=C1.
What is the InChIKey of 6-methyl-1,2,3,5-tetrahydro-as-indacene?
The InChIKey is NERFIKBKUFZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-9-5-7-13-11(9)8-6-10-3-2-4-12(10)13/h5-7H,2-4,8H2,1H3.
What are the key properties of 6-methyl-1,2,3,5-tetrahydro-as-indacene?
6-methyl-1,2,3,5-tetrahydro-as-indacene has a molecular weight of 170.25 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,5-tetrahydro-as-indacene is sourced from PubChem (CID 141475755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).