spiro[3.5]nonane

C9H16 — CID 12651160

IUPACspiro[3.5]nonane
SMILESC1CCC2(CC1)CCC2
InChIInChI=1S/C9H16/c1-2-5-9(6-3-1)7-4-8-9/h1-8H2
InChIKeyVMWOETMUNAQFAX-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.12
Rot. Bonds

About spiro[3.5]nonane

spiro[3.5]nonane (PubChem CID 12651160) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is spiro[3.5]nonane.

Molecular Properties

Compound Namespiro[3.5]nonane
PubChem CID12651160
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namespiro[3.5]nonane
SMILESC1CCC2(CC1)CCC2
InChIInChI=1S/C9H16/c1-2-5-9(6-3-1)7-4-8-9/h1-8H2
InChIKeyVMWOETMUNAQFAX-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[3.5]nonane?
The IUPAC name of spiro[3.5]nonane (CID 12651160) is spiro[3.5]nonane.
What is the SMILES notation for spiro[3.5]nonane?
The canonical SMILES for spiro[3.5]nonane is C1CCC2(CC1)CCC2.
What is the InChIKey of spiro[3.5]nonane?
The InChIKey is VMWOETMUNAQFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-2-5-9(6-3-1)7-4-8-9/h1-8H2.
What are the key properties of spiro[3.5]nonane?
spiro[3.5]nonane has a molecular weight of 124.23 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.5]nonane is sourced from PubChem (CID 12651160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).