1,3-dimethyl-4,5-dihydro-2H-indene

C11H14 — CID 158841865

IUPAC1,3-dimethyl-4,5-dihydro-2H-indene
SMILESCC1=C2C=CCCC2=C(C)C1
InChIInChI=1S/C11H14/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3,5H,4,6-7H2,1-2H3
InChIKeyLGWVZTBFURTZKG-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.37
Rot. Bonds

About 1,3-dimethyl-4,5-dihydro-2H-indene

1,3-dimethyl-4,5-dihydro-2H-indene (PubChem CID 158841865) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,3-dimethyl-4,5-dihydro-2H-indene.

Molecular Properties

Compound Name1,3-dimethyl-4,5-dihydro-2H-indene
PubChem CID158841865
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1,3-dimethyl-4,5-dihydro-2H-indene
SMILESCC1=C2C=CCCC2=C(C)C1
InChIInChI=1S/C11H14/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3,5H,4,6-7H2,1-2H3
InChIKeyLGWVZTBFURTZKG-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Vinylcyclohexene
CID 17497
1-Methylcyclohexa-1,3-diene
CID 121731
p-Mentha-1,3,8-triene
CID 176983
3-Methylenecyclohexene
CID 219357
1,3-Cyclopentadiene, 1-propyl
CID 528171
Mentha-1,4,8-triene
CID 527141
3-Butyl-1-methylcyclopenta-1,3-diene
CID 11094679
Aceplaidylene
CID 136018
1,3-Cyclohexadiene, 1,4-dimethyl-
CID 141267
(E)-1,3-Heptadiene, 4-methyl-
CID 5368944
(2-Methylprop-1-enyl)-cyclohexa-1,3-diene
CID 523863
2-Butyl-1,3-cyclohexadiene
CID 13133171

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5-dihydro-2H-indene?
The IUPAC name of 1,3-dimethyl-4,5-dihydro-2H-indene (CID 158841865) is 1,3-dimethyl-4,5-dihydro-2H-indene.
What is the SMILES notation for 1,3-dimethyl-4,5-dihydro-2H-indene?
The canonical SMILES for 1,3-dimethyl-4,5-dihydro-2H-indene is CC1=C2C=CCCC2=C(C)C1.
What is the InChIKey of 1,3-dimethyl-4,5-dihydro-2H-indene?
The InChIKey is LGWVZTBFURTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3,5H,4,6-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-4,5-dihydro-2H-indene?
1,3-dimethyl-4,5-dihydro-2H-indene has a molecular weight of 146.23 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5-dihydro-2H-indene is sourced from PubChem (CID 158841865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).