cyclopropane;ethane

C35H90 — CID 160958790

IUPACcyclopropane;ethane
SMILESC1CC1.C1CC1.C1CC1.C1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/5C3H6.10C2H6/c5*1-2-3-1;10*1-2/h5*1-3H2;10*1-2H3
InChIKeySWTAYRIXZIAGFU-UHFFFAOYSA-N
MW511.11 g/mol
LogP16.11
Rot. Bonds

About cyclopropane;ethane

cyclopropane;ethane (PubChem CID 160958790) has the molecular formula C35H90 and a molecular weight of 511.11 g/mol. Its IUPAC name is cyclopropane;ethane.

Molecular Properties

Compound Namecyclopropane;ethane
PubChem CID160958790
Molecular FormulaC35H90
Molecular Weight511.11 g/mol
Exact Mass510.70
IUPAC Namecyclopropane;ethane
SMILESC1CC1.C1CC1.C1CC1.C1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/5C3H6.10C2H6/c5*1-2-3-1;10*1-2/h5*1-3H2;10*1-2H3
InChIKeySWTAYRIXZIAGFU-UHFFFAOYSA-N
XLogP16.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.11
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethane?
The IUPAC name of cyclopropane;ethane (CID 160958790) is cyclopropane;ethane.
What is the SMILES notation for cyclopropane;ethane?
The canonical SMILES for cyclopropane;ethane is C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of cyclopropane;ethane?
The InChIKey is SWTAYRIXZIAGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H6.10C2H6/c5*1-2-3-1;10*1-2/h5*1-3H2;10*1-2H3.
What are the key properties of cyclopropane;ethane?
cyclopropane;ethane has a molecular weight of 511.11 g/mol, XLogP of 16.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;ethane is sourced from PubChem (CID 160958790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).