nonylcyclohexane

C15H30 — CID 17900

IUPACnonylcyclohexane
SMILESCCCCCCCCCC1CCCCC1
InChIInChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3
InChIKeyCLMFECCMAVQYQA-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.71
Rot. Bonds8

About nonylcyclohexane

nonylcyclohexane (PubChem CID 17900) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is nonylcyclohexane.

Molecular Properties

Compound Namenonylcyclohexane
PubChem CID17900
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Namenonylcyclohexane
SMILESCCCCCCCCCC1CCCCC1
InChIInChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3
InChIKeyCLMFECCMAVQYQA-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.71
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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Related Compounds

Butylcyclohexane
CID 15506
2-Methyldecane
CID 23415
1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Ethylcyclohexane
CID 15504
2-Methyloctane
CID 18591
Pentylcyclohexane
CID 20284
1,3-Dimethylcyclohexane
CID 11564
2-Methylundecane
CID 23459
Farnesane
CID 19773
Propylcyclohexane
CID 15505
2-Methylnonane
CID 13379

Frequently Asked Questions

What is the IUPAC name of nonylcyclohexane?
The IUPAC name of nonylcyclohexane (CID 17900) is nonylcyclohexane.
What is the SMILES notation for nonylcyclohexane?
The canonical SMILES for nonylcyclohexane is CCCCCCCCCC1CCCCC1.
What is the InChIKey of nonylcyclohexane?
The InChIKey is CLMFECCMAVQYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3.
What are the key properties of nonylcyclohexane?
nonylcyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonylcyclohexane is sourced from PubChem (CID 17900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).