nonan-3-ylcyclopentane

C14H28 — CID 19893531

IUPACnonan-3-ylcyclopentane
SMILESCCCCCCC(CC)C1CCCC1
InChIInChI=1S/C14H28/c1-3-5-6-7-10-13(4-2)14-11-8-9-12-14/h13-14H,3-12H2,1-2H3
InChIKeyPSFDQCTXYQHLQK-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.17
Rot. Bonds7

About nonan-3-ylcyclopentane

nonan-3-ylcyclopentane (PubChem CID 19893531) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is nonan-3-ylcyclopentane.

Molecular Properties

Compound Namenonan-3-ylcyclopentane
PubChem CID19893531
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Namenonan-3-ylcyclopentane
SMILESCCCCCCC(CC)C1CCCC1
InChIInChI=1S/C14H28/c1-3-5-6-7-10-13(4-2)14-11-8-9-12-14/h13-14H,3-12H2,1-2H3
InChIKeyPSFDQCTXYQHLQK-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze nonan-3-ylcyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
1-bromodecan-2-ylcyclopentane
CID 112570528
1-chlorododecan-2-ylcyclopentane
CID 112570395
2-cyclopentyloctan-1-amine
CID 112569591
6-pentadecan-3-ylcycloundecane-1-carboxylic acid
CID 71129172
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
7-cyclohexylheptan-3-ylcyclohexane
CID 90866446
CID 22214511
CID 22214511

Frequently Asked Questions

What is the IUPAC name of nonan-3-ylcyclopentane?
The IUPAC name of nonan-3-ylcyclopentane (CID 19893531) is nonan-3-ylcyclopentane.
What is the SMILES notation for nonan-3-ylcyclopentane?
The canonical SMILES for nonan-3-ylcyclopentane is CCCCCCC(CC)C1CCCC1.
What is the InChIKey of nonan-3-ylcyclopentane?
The InChIKey is PSFDQCTXYQHLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-3-5-6-7-10-13(4-2)14-11-8-9-12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of nonan-3-ylcyclopentane?
nonan-3-ylcyclopentane has a molecular weight of 196.38 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-3-ylcyclopentane is sourced from PubChem (CID 19893531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).