ethane;2-methylspiro[3.5]nonane

C12H24 — CID 164868147

IUPACethane;2-methylspiro[3.5]nonane
SMILESCC.CC1CC2(CCCCC2)C1
InChIInChI=1S/C10H18.C2H6/c1-9-7-10(8-9)5-3-2-4-6-10;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyPFTOKSICQJHZIO-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds

About ethane;2-methylspiro[3.5]nonane

ethane;2-methylspiro[3.5]nonane (PubChem CID 164868147) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is ethane;2-methylspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-methylspiro[3.5]nonane
PubChem CID164868147
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameethane;2-methylspiro[3.5]nonane
SMILESCC.CC1CC2(CCCCC2)C1
InChIInChI=1S/C10H18.C2H6/c1-9-7-10(8-9)5-3-2-4-6-10;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyPFTOKSICQJHZIO-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylspiro[3.5]nonane?
The IUPAC name of ethane;2-methylspiro[3.5]nonane (CID 164868147) is ethane;2-methylspiro[3.5]nonane.
What is the SMILES notation for ethane;2-methylspiro[3.5]nonane?
The canonical SMILES for ethane;2-methylspiro[3.5]nonane is CC.CC1CC2(CCCCC2)C1.
What is the InChIKey of ethane;2-methylspiro[3.5]nonane?
The InChIKey is PFTOKSICQJHZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C2H6/c1-9-7-10(8-9)5-3-2-4-6-10;1-2/h9H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;2-methylspiro[3.5]nonane?
ethane;2-methylspiro[3.5]nonane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylspiro[3.5]nonane is sourced from PubChem (CID 164868147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).