1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane

C17H28O — CID 163717012

IUPAC1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane
SMILESC1CC(C2CCC(C3CCC(OC4CC4)C3)C2)C1
InChIInChI=1S/C17H28O/c1-2-12(3-1)13-4-5-14(10-13)15-6-7-17(11-15)18-16-8-9-16/h12-17H,1-11H2
InChIKeyKOFZFIUPTNPEHU-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.55
Rot. Bonds4

About 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane

1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane (PubChem CID 163717012) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane.

Molecular Properties

Compound Name1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane
PubChem CID163717012
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane
SMILESC1CC(C2CCC(C3CCC(OC4CC4)C3)C2)C1
InChIInChI=1S/C17H28O/c1-2-12(3-1)13-4-5-14(10-13)15-6-7-17(11-15)18-16-8-9-16/h12-17H,1-11H2
InChIKeyKOFZFIUPTNPEHU-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane?
The IUPAC name of 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane (CID 163717012) is 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane.
What is the SMILES notation for 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane?
The canonical SMILES for 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane is C1CC(C2CCC(C3CCC(OC4CC4)C3)C2)C1.
What is the InChIKey of 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane?
The InChIKey is KOFZFIUPTNPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-2-12(3-1)13-4-5-14(10-13)15-6-7-17(11-15)18-16-8-9-16/h12-17H,1-11H2.
What are the key properties of 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane?
1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane has a molecular weight of 248.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3-cyclopropyloxycyclopentyl)cyclopentane is sourced from PubChem (CID 163717012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).