3,3-dimethyl-2-methylidene-1H-indene;ethane

C16H26 — CID 143953753

IUPAC3,3-dimethyl-2-methylidene-1H-indene;ethane
SMILESC=C1Cc2ccccc2C1(C)C.CC.CC
InChIInChI=1S/C12H14.2C2H6/c1-9-8-10-6-4-5-7-11(10)12(9,2)3;2*1-2/h4-7H,1,8H2,2-3H3;2*1-2H3
InChIKeyISNXTDURQXLIAD-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.13
Rot. Bonds

About 3,3-dimethyl-2-methylidene-1H-indene;ethane

3,3-dimethyl-2-methylidene-1H-indene;ethane (PubChem CID 143953753) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-1H-indene;ethane.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-1H-indene;ethane
PubChem CID143953753
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3,3-dimethyl-2-methylidene-1H-indene;ethane
SMILESC=C1Cc2ccccc2C1(C)C.CC.CC
InChIInChI=1S/C12H14.2C2H6/c1-9-8-10-6-4-5-7-11(10)12(9,2)3;2*1-2/h4-7H,1,8H2,2-3H3;2*1-2H3
InChIKeyISNXTDURQXLIAD-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene
CID 161333724
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
2-methylidenespiro[1H-indene-3,4'-piperidine]
CID 176678047
ethane;2-methylidene-1,3-dihydroindene
CID 90790754
1,4,4-trimethyl-3-methylidene-2H-quinoline
CID 142604520
(2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine
CID 144827642
5-bromo-7,7-dimethyl-12H-benzo[a]anthracene
CID 159406823
(2E)-2-[(Z)-3-fluoro-2-methylprop-2-enylidene]-3,3-dimethyl-1H-indene
CID 144645431
(3R)-3-hydroxy-3-methyl-1H-inden-2-one
CID 100988192
6,9,9-trimethyl-5,8-dihydrobenzo[7]annulene
CID 123817244
12,12,28,28,44,44,60,60-octamethylheptadecacyclo[48.14.0.02,17.03,15.05,13.06,11.018,33.019,31.021,29.022,27.034,49.035,47.037,45.038,43.051,63.053,61.054,59]tetrahexaconta-1(50),2(17),3,5(13),6,8,10,14,18(33),19,21(29),22,24,26,30,34(49),35,37(45),38,40,42,46,51,53(61),54,56,58,62-octacosaene
CID 102210401

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidene-1H-indene;ethane?
The IUPAC name of 3,3-dimethyl-2-methylidene-1H-indene;ethane (CID 143953753) is 3,3-dimethyl-2-methylidene-1H-indene;ethane.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-1H-indene;ethane?
The canonical SMILES for 3,3-dimethyl-2-methylidene-1H-indene;ethane is C=C1Cc2ccccc2C1(C)C.CC.CC.
What is the InChIKey of 3,3-dimethyl-2-methylidene-1H-indene;ethane?
The InChIKey is ISNXTDURQXLIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.2C2H6/c1-9-8-10-6-4-5-7-11(10)12(9,2)3;2*1-2/h4-7H,1,8H2,2-3H3;2*1-2H3.
What are the key properties of 3,3-dimethyl-2-methylidene-1H-indene;ethane?
3,3-dimethyl-2-methylidene-1H-indene;ethane has a molecular weight of 218.38 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidene-1H-indene;ethane is sourced from PubChem (CID 143953753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).