1,2-di(cyclobutyl)-1,5-dipropylcyclopentane

C19H34 — CID 57140572

IUPAC1,2-di(cyclobutyl)-1,5-dipropylcyclopentane
SMILESCCCC1CCC(C2CCC2)C1(CCC)C1CCC1
InChIInChI=1S/C19H34/c1-3-7-16-12-13-18(15-8-5-9-15)19(16,14-4-2)17-10-6-11-17/h15-18H,3-14H2,1-2H3
InChIKeyHXVRYEAXDSOPCR-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.20
Rot. Bonds6

About 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane

1,2-di(cyclobutyl)-1,5-dipropylcyclopentane (PubChem CID 57140572) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane.

Molecular Properties

Compound Name1,2-di(cyclobutyl)-1,5-dipropylcyclopentane
PubChem CID57140572
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1,2-di(cyclobutyl)-1,5-dipropylcyclopentane
SMILESCCCC1CCC(C2CCC2)C1(CCC)C1CCC1
InChIInChI=1S/C19H34/c1-3-7-16-12-13-18(15-8-5-9-15)19(16,14-4-2)17-10-6-11-17/h15-18H,3-14H2,1-2H3
InChIKeyHXVRYEAXDSOPCR-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane?
The IUPAC name of 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane (CID 57140572) is 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane.
What is the SMILES notation for 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane?
The canonical SMILES for 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane is CCCC1CCC(C2CCC2)C1(CCC)C1CCC1.
What is the InChIKey of 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane?
The InChIKey is HXVRYEAXDSOPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-3-7-16-12-13-18(15-8-5-9-15)19(16,14-4-2)17-10-6-11-17/h15-18H,3-14H2,1-2H3.
What are the key properties of 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane?
1,2-di(cyclobutyl)-1,5-dipropylcyclopentane has a molecular weight of 262.48 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclobutyl)-1,5-dipropylcyclopentane is sourced from PubChem (CID 57140572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).