3-methylidenenonane

C10H20 — CID 550804

IUPAC3-methylidenenonane
SMILESC=C(CC)CCCCCC
InChIInChI=1S/C10H20/c1-4-6-7-8-9-10(3)5-2/h3-9H2,1-2H3
InChIKeyXZJZVNABSFJYOK-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.92
Rot. Bonds6

About 3-methylidenenonane

3-methylidenenonane (PubChem CID 550804) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 3-methylidenenonane.

Molecular Properties

Compound Name3-methylidenenonane
PubChem CID550804
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name3-methylidenenonane
SMILESC=C(CC)CCCCCC
InChIInChI=1S/C10H20/c1-4-6-7-8-9-10(3)5-2/h3-9H2,1-2H3
InChIKeyXZJZVNABSFJYOK-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenenonane?
The IUPAC name of 3-methylidenenonane (CID 550804) is 3-methylidenenonane.
What is the SMILES notation for 3-methylidenenonane?
The canonical SMILES for 3-methylidenenonane is C=C(CC)CCCCCC.
What is the InChIKey of 3-methylidenenonane?
The InChIKey is XZJZVNABSFJYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-4-6-7-8-9-10(3)5-2/h3-9H2,1-2H3.
What are the key properties of 3-methylidenenonane?
3-methylidenenonane has a molecular weight of 140.27 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenenonane is sourced from PubChem (CID 550804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).