1-nonylprismane

C15H24 — CID 57277372

IUPAC1-nonylprismane
SMILESCCCCCCCCCC12C3C4C3C1C42
InChIInChI=1S/C15H24/c1-2-3-4-5-6-7-8-9-15-12-10-11(12)14(15)13(10)15/h10-14H,2-9H2,1H3
InChIKeyVIIGRMKGARNUGJ-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.25
Rot. Bonds8

About 1-nonylprismane

1-nonylprismane (PubChem CID 57277372) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-nonylprismane.

Molecular Properties

Compound Name1-nonylprismane
PubChem CID57277372
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-nonylprismane
SMILESCCCCCCCCCC12C3C4C3C1C42
InChIInChI=1S/C15H24/c1-2-3-4-5-6-7-8-9-15-12-10-11(12)14(15)13(10)15/h10-14H,2-9H2,1H3
InChIKeyVIIGRMKGARNUGJ-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.25
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 1-nonylprismane?
The IUPAC name of 1-nonylprismane (CID 57277372) is 1-nonylprismane.
What is the SMILES notation for 1-nonylprismane?
The canonical SMILES for 1-nonylprismane is CCCCCCCCCC12C3C4C3C1C42.
What is the InChIKey of 1-nonylprismane?
The InChIKey is VIIGRMKGARNUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-2-3-4-5-6-7-8-9-15-12-10-11(12)14(15)13(10)15/h10-14H,2-9H2,1H3.
What are the key properties of 1-nonylprismane?
1-nonylprismane has a molecular weight of 204.36 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylprismane is sourced from PubChem (CID 57277372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).