1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane

C16H26 — CID 21392905

IUPAC1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane
SMILESCCCCC1(C2(C3(C4CC4)CC3)CC2)CC1
InChIInChI=1S/C16H26/c1-2-3-6-14(7-8-14)16(11-12-16)15(9-10-15)13-4-5-13/h13H,2-12H2,1H3
InChIKeyUJJWGNJZNGAGGV-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.93
Rot. Bonds6

About 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane

1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane (PubChem CID 21392905) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane.

Molecular Properties

Compound Name1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane
PubChem CID21392905
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane
SMILESCCCCC1(C2(C3(C4CC4)CC3)CC2)CC1
InChIInChI=1S/C16H26/c1-2-3-6-14(7-8-14)16(11-12-16)15(9-10-15)13-4-5-13/h13H,2-12H2,1H3
InChIKeyUJJWGNJZNGAGGV-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane?
The IUPAC name of 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane (CID 21392905) is 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane.
What is the SMILES notation for 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane?
The canonical SMILES for 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane is CCCCC1(C2(C3(C4CC4)CC3)CC2)CC1.
What is the InChIKey of 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane?
The InChIKey is UJJWGNJZNGAGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-2-3-6-14(7-8-14)16(11-12-16)15(9-10-15)13-4-5-13/h13H,2-12H2,1H3.
What are the key properties of 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane?
1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane has a molecular weight of 218.38 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-[1-(1-cyclopropylcyclopropyl)cyclopropyl]cyclopropane is sourced from PubChem (CID 21392905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).