1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane

C16H26 — CID 10513035

IUPAC1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
SMILESCC(C)C12CC(C34CC(C(C)C)(C3)C4)(C1)C2
InChIInChI=1S/C16H26/c1-11(2)13-5-15(6-13,7-13)16-8-14(9-16,10-16)12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyWQUHIMASPLZJGL-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.64
Rot. Bonds3

About 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane

1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane (PubChem CID 10513035) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
PubChem CID10513035
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
SMILESCC(C)C12CC(C34CC(C(C)C)(C3)C4)(C1)C2
InChIInChI=1S/C16H26/c1-11(2)13-5-15(6-13,7-13)16-8-14(9-16,10-16)12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyWQUHIMASPLZJGL-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The IUPAC name of 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane (CID 10513035) is 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane is CC(C)C12CC(C34CC(C(C)C)(C3)C4)(C1)C2.
What is the InChIKey of 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The InChIKey is WQUHIMASPLZJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-11(2)13-5-15(6-13,7-13)16-8-14(9-16,10-16)12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane has a molecular weight of 218.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 10513035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).