(2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene

C12H14 — CID 145271864

IUPAC(2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene
SMILESC=C1c2cc(C)ccc2C[C@@H]1C
InChIInChI=1S/C12H14/c1-8-4-5-11-7-9(2)10(3)12(11)6-8/h4-6,9H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyFEURFBVWWUFKHU-VIFPVBQESA-N
MW158.24 g/mol
LogP3.20
Rot. Bonds

About (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene

(2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene (PubChem CID 145271864) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene.

Molecular Properties

Compound Name(2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene
PubChem CID145271864
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name(2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene
SMILESC=C1c2cc(C)ccc2C[C@@H]1C
InChIInChI=1S/C12H14/c1-8-4-5-11-7-9(2)10(3)12(11)6-8/h4-6,9H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyFEURFBVWWUFKHU-VIFPVBQESA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-5-methyl-3-methylidene-1,2-dihydroindene
CID 162688004
11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol
CID 142144674
2-bromo-3,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 166474739
2-amino-6-methyl-2,3-dihydroinden-1-one
CID 24973373
4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 142288787
2,5-dimethyl-3-methylidene-1-benzofuran
CID 126604553
5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 59881663
(2E)-2-(3,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 84622246
(2S)-2,6-dimethyl-2,3-dihydro-1H-indole
CID 130731712
1,6-dimethyl-2,3,4,9-tetrahydro-1H-fluorene
CID 54545190
3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 163891740
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 10537791

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene?
The IUPAC name of (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene (CID 145271864) is (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene.
What is the SMILES notation for (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene?
The canonical SMILES for (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene is C=C1c2cc(C)ccc2C[C@@H]1C.
What is the InChIKey of (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene?
The InChIKey is FEURFBVWWUFKHU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14/c1-8-4-5-11-7-9(2)10(3)12(11)6-8/h4-6,9H,3,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene?
(2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene has a molecular weight of 158.24 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene is sourced from PubChem (CID 145271864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).