propane;spiro[3.3]heptane

C10H20 — CID 176988732

IUPACpropane;spiro[3.3]heptane
SMILESC1CC2(C1)CCC2.CCC
InChIInChI=1S/C7H12.C3H8/c1-3-7(4-1)5-2-6-7;1-3-2/h1-6H2;3H2,1-2H3
InChIKeyRBJIZFLDXIXYNL-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.76
Rot. Bonds

About propane;spiro[3.3]heptane

propane;spiro[3.3]heptane (PubChem CID 176988732) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is propane;spiro[3.3]heptane.

Molecular Properties

Compound Namepropane;spiro[3.3]heptane
PubChem CID176988732
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Namepropane;spiro[3.3]heptane
SMILESC1CC2(C1)CCC2.CCC
InChIInChI=1S/C7H12.C3H8/c1-3-7(4-1)5-2-6-7;1-3-2/h1-6H2;3H2,1-2H3
InChIKeyRBJIZFLDXIXYNL-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of propane;spiro[3.3]heptane?
The IUPAC name of propane;spiro[3.3]heptane (CID 176988732) is propane;spiro[3.3]heptane.
What is the SMILES notation for propane;spiro[3.3]heptane?
The canonical SMILES for propane;spiro[3.3]heptane is C1CC2(C1)CCC2.CCC.
What is the InChIKey of propane;spiro[3.3]heptane?
The InChIKey is RBJIZFLDXIXYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C3H8/c1-3-7(4-1)5-2-6-7;1-3-2/h1-6H2;3H2,1-2H3.
What are the key properties of propane;spiro[3.3]heptane?
propane;spiro[3.3]heptane has a molecular weight of 140.27 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;spiro[3.3]heptane is sourced from PubChem (CID 176988732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).