3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene

C13H20 — CID 144533916

IUPAC3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene
SMILESCC(C)C1=CC2=C(CC1)C(C)CC2
InChIInChI=1S/C13H20/c1-9(2)11-6-7-13-10(3)4-5-12(13)8-11/h8-10H,4-7H2,1-3H3
InChIKeyFYLMMNSHIRLRID-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds1

About 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene

3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene (PubChem CID 144533916) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene
PubChem CID144533916
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene
SMILESCC(C)C1=CC2=C(CC1)C(C)CC2
InChIInChI=1S/C13H20/c1-9(2)11-6-7-13-10(3)4-5-12(13)8-11/h8-10H,4-7H2,1-3H3
InChIKeyFYLMMNSHIRLRID-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 171848934
(2R)-2-methylbicyclo[3.2.0]hept-1(5)-ene
CID 149263121
1,4a,5-trimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-thiol
CID 144554041
1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 16040
2-fluoro-1-methoxy-4-propan-2-ylcyclohexa-1,3-diene
CID 130224384
6-methyl-4-propan-2-yl-2,3-dihydropyridine
CID 123604478
1-chloro-2-fluoro-4-propan-2-ylcyclohexa-1,3-diene
CID 166537853
5-methyl-2-propan-2-ylcyclopentene-1-thiol
CID 45095992
[(3R)-3-methyl-6-propan-2-ylcyclohepta-1,6-dien-1-yl] trifluoromethanesulfonate
CID 53349465
7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene
CID 145118764
2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium
CID 175289139
(1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol
CID 21116256

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene (CID 144533916) is 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene is CC(C)C1=CC2=C(CC1)C(C)CC2.
What is the InChIKey of 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is FYLMMNSHIRLRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9(2)11-6-7-13-10(3)4-5-12(13)8-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene?
3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 176.30 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 144533916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).