ethane;spiro[3.5]non-7-ene

C11H20 — CID 144945784

IUPACethane;spiro[3.5]non-7-ene
SMILESC1=CCC2(CC1)CCC2.CC
InChIInChI=1S/C9H14.C2H6/c1-2-5-9(6-3-1)7-4-8-9;1-2/h1-2H,3-8H2;1-2H3
InChIKeyPXODFUHFNKTNQX-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds

About ethane;spiro[3.5]non-7-ene

ethane;spiro[3.5]non-7-ene (PubChem CID 144945784) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is ethane;spiro[3.5]non-7-ene.

Molecular Properties

Compound Nameethane;spiro[3.5]non-7-ene
PubChem CID144945784
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Nameethane;spiro[3.5]non-7-ene
SMILESC1=CCC2(CC1)CCC2.CC
InChIInChI=1S/C9H14.C2H6/c1-2-5-9(6-3-1)7-4-8-9;1-2/h1-2H,3-8H2;1-2H3
InChIKeyPXODFUHFNKTNQX-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;spiro[3.5]non-7-ene?
The IUPAC name of ethane;spiro[3.5]non-7-ene (CID 144945784) is ethane;spiro[3.5]non-7-ene.
What is the SMILES notation for ethane;spiro[3.5]non-7-ene?
The canonical SMILES for ethane;spiro[3.5]non-7-ene is C1=CCC2(CC1)CCC2.CC.
What is the InChIKey of ethane;spiro[3.5]non-7-ene?
The InChIKey is PXODFUHFNKTNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.C2H6/c1-2-5-9(6-3-1)7-4-8-9;1-2/h1-2H,3-8H2;1-2H3.
What are the key properties of ethane;spiro[3.5]non-7-ene?
ethane;spiro[3.5]non-7-ene has a molecular weight of 152.28 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[3.5]non-7-ene is sourced from PubChem (CID 144945784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).