6-methyl-4,5,6,7-tetrahydro-3aH-indene

C10H14 — CID 91083284

IUPAC6-methyl-4,5,6,7-tetrahydro-3aH-indene
SMILESCC1CCC2C=CC=C2C1
InChIInChI=1S/C10H14/c1-8-5-6-9-3-2-4-10(9)7-8/h2-4,8-9H,5-7H2,1H3
InChIKeyFWDSBKQTVPVGQO-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds

About 6-methyl-4,5,6,7-tetrahydro-3aH-indene

6-methyl-4,5,6,7-tetrahydro-3aH-indene (PubChem CID 91083284) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 6-methyl-4,5,6,7-tetrahydro-3aH-indene.

Molecular Properties

Compound Name6-methyl-4,5,6,7-tetrahydro-3aH-indene
PubChem CID91083284
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name6-methyl-4,5,6,7-tetrahydro-3aH-indene
SMILESCC1CCC2C=CC=C2C1
InChIInChI=1S/C10H14/c1-8-5-6-9-3-2-4-10(9)7-8/h2-4,8-9H,5-7H2,1H3
InChIKeyFWDSBKQTVPVGQO-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,3,3a-tetrahydropentalen-2-ol
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4a,5,8,8a,9,9a-hexahydro-4H-cyclopenta[b]naphthalene
CID 173020633
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
(2S,4aR)-2-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 141401221
5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
1-ethyl-1,2,3,3a-tetrahydropentalene
CID 18402358
1,2,3,4,5,5a-hexahydroheptalene
CID 91574943
ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 145030095
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
CID 91374956

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7-tetrahydro-3aH-indene?
The IUPAC name of 6-methyl-4,5,6,7-tetrahydro-3aH-indene (CID 91083284) is 6-methyl-4,5,6,7-tetrahydro-3aH-indene.
What is the SMILES notation for 6-methyl-4,5,6,7-tetrahydro-3aH-indene?
The canonical SMILES for 6-methyl-4,5,6,7-tetrahydro-3aH-indene is CC1CCC2C=CC=C2C1.
What is the InChIKey of 6-methyl-4,5,6,7-tetrahydro-3aH-indene?
The InChIKey is FWDSBKQTVPVGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-5-6-9-3-2-4-10(9)7-8/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 6-methyl-4,5,6,7-tetrahydro-3aH-indene?
6-methyl-4,5,6,7-tetrahydro-3aH-indene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7-tetrahydro-3aH-indene is sourced from PubChem (CID 91083284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).