6-cyclohexylhexa-2,4-diynylcyclohexane

C18H26 — CID 122222018

IUPAC6-cyclohexylhexa-2,4-diynylcyclohexane
SMILESC(C#CCC1CCCCC1)#CCC1CCCCC1
InChIInChI=1S/C18H26/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h17-18H,3-4,7-16H2
InChIKeyJRHVFDOZDUNLHZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP4.93
Rot. Bonds2

About 6-cyclohexylhexa-2,4-diynylcyclohexane

6-cyclohexylhexa-2,4-diynylcyclohexane (PubChem CID 122222018) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 6-cyclohexylhexa-2,4-diynylcyclohexane.

Molecular Properties

Compound Name6-cyclohexylhexa-2,4-diynylcyclohexane
PubChem CID122222018
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name6-cyclohexylhexa-2,4-diynylcyclohexane
SMILESC(C#CCC1CCCCC1)#CCC1CCCCC1
InChIInChI=1S/C18H26/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h17-18H,3-4,7-16H2
InChIKeyJRHVFDOZDUNLHZ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylhexa-2,4-diynylcyclohexane?
The IUPAC name of 6-cyclohexylhexa-2,4-diynylcyclohexane (CID 122222018) is 6-cyclohexylhexa-2,4-diynylcyclohexane.
What is the SMILES notation for 6-cyclohexylhexa-2,4-diynylcyclohexane?
The canonical SMILES for 6-cyclohexylhexa-2,4-diynylcyclohexane is C(C#CCC1CCCCC1)#CCC1CCCCC1.
What is the InChIKey of 6-cyclohexylhexa-2,4-diynylcyclohexane?
The InChIKey is JRHVFDOZDUNLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h17-18H,3-4,7-16H2.
What are the key properties of 6-cyclohexylhexa-2,4-diynylcyclohexane?
6-cyclohexylhexa-2,4-diynylcyclohexane has a molecular weight of 242.41 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylhexa-2,4-diynylcyclohexane is sourced from PubChem (CID 122222018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).