methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane

C21H34 — CID 159261461

IUPACmethane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane
SMILESC.CC(C)c1ccc(C23CCC(C(C)C)(CC2)CC3)cc1
InChIInChI=1S/C20H30.CH4/c1-15(2)17-5-7-18(8-6-17)20-12-9-19(10-13-20,11-14-20)16(3)4;/h5-8,15-16H,9-14H2,1-4H3;1H4
InChIKeyKWOHQRPQGVKSSO-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.69
Rot. Bonds3

About methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane

methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane (PubChem CID 159261461) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane.

Molecular Properties

Compound Namemethane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane
PubChem CID159261461
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Namemethane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane
SMILESC.CC(C)c1ccc(C23CCC(C(C)C)(CC2)CC3)cc1
InChIInChI=1S/C20H30.CH4/c1-15(2)17-5-7-18(8-6-17)20-12-9-19(10-13-20,11-14-20)16(3)4;/h5-8,15-16H,9-14H2,1-4H3;1H4
InChIKeyKWOHQRPQGVKSSO-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane?
The IUPAC name of methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane (CID 159261461) is methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane.
What is the SMILES notation for methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane?
The canonical SMILES for methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane is C.CC(C)c1ccc(C23CCC(C(C)C)(CC2)CC3)cc1.
What is the InChIKey of methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane?
The InChIKey is KWOHQRPQGVKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30.CH4/c1-15(2)17-5-7-18(8-6-17)20-12-9-19(10-13-20,11-14-20)16(3)4;/h5-8,15-16H,9-14H2,1-4H3;1H4.
What are the key properties of methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane?
methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane has a molecular weight of 286.50 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane is sourced from PubChem (CID 159261461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).