2,3,4,7-tetramethyl-1H-indene

C13H16 — CID 10942918

IUPAC2,3,4,7-tetramethyl-1H-indene
SMILESCC1=C(C)c2c(C)ccc(C)c2C1
InChIInChI=1S/C13H16/c1-8-5-6-9(2)13-11(4)10(3)7-12(8)13/h5-6H,7H2,1-4H3
InChIKeySPJFFPGMVIHWLQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.65
Rot. Bonds

About 2,3,4,7-tetramethyl-1H-indene

2,3,4,7-tetramethyl-1H-indene (PubChem CID 10942918) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,3,4,7-tetramethyl-1H-indene.

Molecular Properties

Compound Name2,3,4,7-tetramethyl-1H-indene
PubChem CID10942918
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2,3,4,7-tetramethyl-1H-indene
SMILESCC1=C(C)c2c(C)ccc(C)c2C1
InChIInChI=1S/C13H16/c1-8-5-6-9(2)13-11(4)10(3)7-12(8)13/h5-6H,7H2,1-4H3
InChIKeySPJFFPGMVIHWLQ-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,4,6,7-pentamethyl-1H-indene
CID 19366100
2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine
CID 158152356
2-ethyl-3-methanidyl-4,7-dimethyl-1H-indene;uranium(2+)
CID 58001395
6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 58161163
3-methoxy-2,7-dimethyl-1H-indene
CID 23625905
5,8-dimethyl-1,4-dihydronaphthalene
CID 15646930
4,7-dimethyl-3H-indol-2-amine
CID 145358846
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
CID 22967951
4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 164898152
1-amino-4-methyl-10H-anthracen-9-one
CID 163804927
7-bromo-2,3-dimethyl-1H-indene
CID 59608909
5-bromo-2,3,4-trimethyl-1H-indene
CID 173231939

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetramethyl-1H-indene?
The IUPAC name of 2,3,4,7-tetramethyl-1H-indene (CID 10942918) is 2,3,4,7-tetramethyl-1H-indene.
What is the SMILES notation for 2,3,4,7-tetramethyl-1H-indene?
The canonical SMILES for 2,3,4,7-tetramethyl-1H-indene is CC1=C(C)c2c(C)ccc(C)c2C1.
What is the InChIKey of 2,3,4,7-tetramethyl-1H-indene?
The InChIKey is SPJFFPGMVIHWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-8-5-6-9(2)13-11(4)10(3)7-12(8)13/h5-6H,7H2,1-4H3.
What are the key properties of 2,3,4,7-tetramethyl-1H-indene?
2,3,4,7-tetramethyl-1H-indene has a molecular weight of 172.27 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetramethyl-1H-indene is sourced from PubChem (CID 10942918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).