3-methylnonane

C10H22 — CID 22202

IUPAC3-methylnonane
SMILESCCCCCCC(C)CC
InChIInChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3
InChIKeyPLZDDPSCZHRBOY-UHFFFAOYSA-N
MW142.29 g/mol
LogP4.00
Rot. Bonds6

About 3-methylnonane

3-methylnonane (PubChem CID 22202) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 3-methylnonane.

Molecular Properties

Compound Name3-methylnonane
PubChem CID22202
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name3-methylnonane
SMILESCCCCCCC(C)CC
InChIInChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3
InChIKeyPLZDDPSCZHRBOY-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylnonane?
The IUPAC name of 3-methylnonane (CID 22202) is 3-methylnonane.
What is the SMILES notation for 3-methylnonane?
The canonical SMILES for 3-methylnonane is CCCCCCC(C)CC.
What is the InChIKey of 3-methylnonane?
The InChIKey is PLZDDPSCZHRBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3.
What are the key properties of 3-methylnonane?
3-methylnonane has a molecular weight of 142.29 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnonane is sourced from PubChem (CID 22202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).