2,6-dimethyl-1,7-dihydro-s-indacene

C14H14 — CID 12975727

IUPAC2,6-dimethyl-1,7-dihydro-s-indacene
SMILESCC1=Cc2cc3c(cc2C1)CC(C)=C3
InChIInChI=1S/C14H14/c1-9-3-11-7-13-5-10(2)6-14(13)8-12(11)4-9/h3,5,7-8H,4,6H2,1-2H3
InChIKeyOHZUIFXOKKIYPR-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.61
Rot. Bonds

About 2,6-dimethyl-1,7-dihydro-s-indacene

2,6-dimethyl-1,7-dihydro-s-indacene (PubChem CID 12975727) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,6-dimethyl-1,7-dihydro-s-indacene.

Molecular Properties

Compound Name2,6-dimethyl-1,7-dihydro-s-indacene
PubChem CID12975727
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name2,6-dimethyl-1,7-dihydro-s-indacene
SMILESCC1=Cc2cc3c(cc2C1)CC(C)=C3
InChIInChI=1S/C14H14/c1-9-3-11-7-13-5-10(2)6-14(13)8-12(11)4-9/h3,5,7-8H,4,6H2,1-2H3
InChIKeyOHZUIFXOKKIYPR-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,6-diethyl-2-methyl-1H-indene
CID 54575769
2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene
CID 90832270
5-tert-butyl-2-methyl-1H-indene
CID 18314754
5-methoxy-2-methyl-1H-indene
CID 12616525
ethane;2-methyl-1H-indene
CID 54388135
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
dilithium;hydride;2-methyl-1H-indene
CID 174389256
5-benzyl-2-methyl-1H-indene
CID 139825397
2-methyl-5-nitro-1H-indene
CID 160884843
3-methyl-2H-anthracen-1-one
CID 141307258
2-methyl-1H-phenalene
CID 71398400
[(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite
CID 175184378

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,7-dihydro-s-indacene?
The IUPAC name of 2,6-dimethyl-1,7-dihydro-s-indacene (CID 12975727) is 2,6-dimethyl-1,7-dihydro-s-indacene.
What is the SMILES notation for 2,6-dimethyl-1,7-dihydro-s-indacene?
The canonical SMILES for 2,6-dimethyl-1,7-dihydro-s-indacene is CC1=Cc2cc3c(cc2C1)CC(C)=C3.
What is the InChIKey of 2,6-dimethyl-1,7-dihydro-s-indacene?
The InChIKey is OHZUIFXOKKIYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-9-3-11-7-13-5-10(2)6-14(13)8-12(11)4-9/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,7-dihydro-s-indacene?
2,6-dimethyl-1,7-dihydro-s-indacene has a molecular weight of 182.27 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,7-dihydro-s-indacene is sourced from PubChem (CID 12975727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).