2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane

C81H130N2 — CID 157158345

IUPAC2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane
SMILESC.C.C.C.C.C.CC.CC(C)C1=Cc2cc(C(C)C)ccc2C1.CC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)c1ccc2c(c1)CC(C(C)C)C2.CC(C)c1ccc2cc(C(C)C)cn2c1.CC(C)c1ccn2cc(C(C)C)cc2c1
InChIInChI=1S/C15H22.2C15H20.2C14H19N.C2H6.6CH4/c3*1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-10(2)12-5-6-14-7-13(11(3)4)9-15(14)8-12;1-10(2)12-5-6-15-9-13(11(3)4)8-14(15)7-12;1-2;;;;;;/h5-7,10-11,14H,8-9H2,1-4H3;5-7,9-11H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;2*5-11H,1-4H3;1-2H3;6*1H4
InChIKeyAMBPZONQTYDZDU-UHFFFAOYSA-N
MW1131.94 g/mol
LogP26.21
Rot. Bonds10

About 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane

2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane (PubChem CID 157158345) has the molecular formula C81H130N2 and a molecular weight of 1131.94 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane
PubChem CID157158345
Molecular FormulaC81H130N2
Molecular Weight1131.94 g/mol
Exact Mass1131.02
IUPAC Name2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane
SMILESC.C.C.C.C.C.CC.CC(C)C1=Cc2cc(C(C)C)ccc2C1.CC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)c1ccc2c(c1)CC(C(C)C)C2.CC(C)c1ccc2cc(C(C)C)cn2c1.CC(C)c1ccn2cc(C(C)C)cc2c1
InChIInChI=1S/C15H22.2C15H20.2C14H19N.C2H6.6CH4/c3*1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-10(2)12-5-6-14-7-13(11(3)4)9-15(14)8-12;1-10(2)12-5-6-15-9-13(11(3)4)8-14(15)7-12;1-2;;;;;;/h5-7,10-11,14H,8-9H2,1-4H3;5-7,9-11H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;2*5-11H,1-4H3;1-2H3;6*1H4
InChIKeyAMBPZONQTYDZDU-UHFFFAOYSA-N
XLogP26.21
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.94
LogP ≤ 526.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane?
The IUPAC name of 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane (CID 157158345) is 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane.
What is the SMILES notation for 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane?
The canonical SMILES for 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane is C.C.C.C.C.C.CC.CC(C)C1=Cc2cc(C(C)C)ccc2C1.CC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)c1ccc2c(c1)CC(C(C)C)C2.CC(C)c1ccc2cc(C(C)C)cn2c1.CC(C)c1ccn2cc(C(C)C)cc2c1.
What is the InChIKey of 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane?
The InChIKey is AMBPZONQTYDZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.2C15H20.2C14H19N.C2H6.6CH4/c3*1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-10(2)12-5-6-14-7-13(11(3)4)9-15(14)8-12;1-10(2)12-5-6-15-9-13(11(3)4)8-14(15)7-12;1-2;;;;;;/h5-7,10-11,14H,8-9H2,1-4H3;5-7,9-11H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;2*5-11H,1-4H3;1-2H3;6*1H4.
What are the key properties of 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane?
2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane has a molecular weight of 1131.94 g/mol, XLogP of 26.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane is sourced from PubChem (CID 157158345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).