2-tert-butyl-2,3-dihydro-1H-indene;methane

C14H22 — CID 159665212

IUPAC2-tert-butyl-2,3-dihydro-1H-indene;methane
SMILESC.CC(C)(C)C1Cc2ccccc2C1
InChIInChI=1S/C13H18.CH4/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;/h4-7,12H,8-9H2,1-3H3;1H4
InChIKeyMTHXPZUVRSUDID-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.08
Rot. Bonds

About 2-tert-butyl-2,3-dihydro-1H-indene;methane

2-tert-butyl-2,3-dihydro-1H-indene;methane (PubChem CID 159665212) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-tert-butyl-2,3-dihydro-1H-indene;methane.

Molecular Properties

Compound Name2-tert-butyl-2,3-dihydro-1H-indene;methane
PubChem CID159665212
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-tert-butyl-2,3-dihydro-1H-indene;methane
SMILESC.CC(C)(C)C1Cc2ccccc2C1
InChIInChI=1S/C13H18.CH4/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;/h4-7,12H,8-9H2,1-3H3;1H4
InChIKeyMTHXPZUVRSUDID-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane
CID 169144923
6-tert-butyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 69281677
methane;2-methyl-2,3-dihydro-1H-indene
CID 142040721
2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene
CID 140575899
3-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 10487896
N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849959
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
(3aR,9aR)-2,2-ditert-butyl-3a,4,9,9a-tetrahydrobenzo[f][1,3,2]benzodioxasilole
CID 6427383
3-[(4-tert-butylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 62085434
3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386426
ethane;tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CID 91364576
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3-dihydro-1H-indene;methane?
The IUPAC name of 2-tert-butyl-2,3-dihydro-1H-indene;methane (CID 159665212) is 2-tert-butyl-2,3-dihydro-1H-indene;methane.
What is the SMILES notation for 2-tert-butyl-2,3-dihydro-1H-indene;methane?
The canonical SMILES for 2-tert-butyl-2,3-dihydro-1H-indene;methane is C.CC(C)(C)C1Cc2ccccc2C1.
What is the InChIKey of 2-tert-butyl-2,3-dihydro-1H-indene;methane?
The InChIKey is MTHXPZUVRSUDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.CH4/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;/h4-7,12H,8-9H2,1-3H3;1H4.
What are the key properties of 2-tert-butyl-2,3-dihydro-1H-indene;methane?
2-tert-butyl-2,3-dihydro-1H-indene;methane has a molecular weight of 190.33 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,3-dihydro-1H-indene;methane is sourced from PubChem (CID 159665212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).