7-propan-2-ylspiro[2.4]heptane

C10H18 — CID 154526076

IUPAC7-propan-2-ylspiro[2.4]heptane
SMILESCC(C)C1CCCC12CC2
InChIInChI=1S/C10H18/c1-8(2)9-4-3-5-10(9)6-7-10/h8-9H,3-7H2,1-2H3
InChIKeyMYYRTLNJQSUNIS-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds1

About 7-propan-2-ylspiro[2.4]heptane

7-propan-2-ylspiro[2.4]heptane (PubChem CID 154526076) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 7-propan-2-ylspiro[2.4]heptane.

Molecular Properties

Compound Name7-propan-2-ylspiro[2.4]heptane
PubChem CID154526076
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name7-propan-2-ylspiro[2.4]heptane
SMILESCC(C)C1CCCC12CC2
InChIInChI=1S/C10H18/c1-8(2)9-4-3-5-10(9)6-7-10/h8-9H,3-7H2,1-2H3
InChIKeyMYYRTLNJQSUNIS-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylspiro[2.4]heptane?
The IUPAC name of 7-propan-2-ylspiro[2.4]heptane (CID 154526076) is 7-propan-2-ylspiro[2.4]heptane.
What is the SMILES notation for 7-propan-2-ylspiro[2.4]heptane?
The canonical SMILES for 7-propan-2-ylspiro[2.4]heptane is CC(C)C1CCCC12CC2.
What is the InChIKey of 7-propan-2-ylspiro[2.4]heptane?
The InChIKey is MYYRTLNJQSUNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)9-4-3-5-10(9)6-7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 7-propan-2-ylspiro[2.4]heptane?
7-propan-2-ylspiro[2.4]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylspiro[2.4]heptane is sourced from PubChem (CID 154526076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).