3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene

C14H20 — CID 22975328

IUPAC3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene
SMILESCC(C)C1Cc2ccccc2C1(C)C
InChIInChI=1S/C14H20/c1-10(2)13-9-11-7-5-6-8-12(11)14(13,3)4/h5-8,10,13H,9H2,1-4H3
InChIKeyPFJRFWOKPAYIPY-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.79
Rot. Bonds1

About 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene

3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene (PubChem CID 22975328) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene
PubChem CID22975328
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene
SMILESCC(C)C1Cc2ccccc2C1(C)C
InChIInChI=1S/C14H20/c1-10(2)13-9-11-7-5-6-8-12(11)14(13,3)4/h5-8,10,13H,9H2,1-4H3
InChIKeyPFJRFWOKPAYIPY-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-iodo-3,3-dimethyl-1,2-dihydroindene
CID 70493700
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-2,2-dimethoxyethanesulfonamide
CID 166394428
1,1,2,3-tetramethyl-3,4-dihydronaphthalen-2-amine
CID 18983557
1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-amine
CID 67760848
3,4,4-trimethylspiro[1,3-dihydroisoquinolin-2-ium-2,1'-aziridin-1-ium]
CID 18736287
(3S)-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 144752906
methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609
2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene
CID 159411000
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956
(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one
CID 11240906
3-(1-chloroethyl)-3-methyl-1,2-dihydroindene
CID 175734944

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene?
The IUPAC name of 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene (CID 22975328) is 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene?
The canonical SMILES for 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene is CC(C)C1Cc2ccccc2C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene?
The InChIKey is PFJRFWOKPAYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-10(2)13-9-11-7-5-6-8-12(11)14(13,3)4/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene?
3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene has a molecular weight of 188.31 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene is sourced from PubChem (CID 22975328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).