4-cyclohexylbut-2-ynylcyclohexane

C16H26 — CID 91270502

IUPAC4-cyclohexylbut-2-ynylcyclohexane
SMILESC(#CCC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C16H26/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-6,9-14H2
InChIKeyCYZZGSJYPVKGMS-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.93
Rot. Bonds2

About 4-cyclohexylbut-2-ynylcyclohexane

4-cyclohexylbut-2-ynylcyclohexane (PubChem CID 91270502) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 4-cyclohexylbut-2-ynylcyclohexane.

Molecular Properties

Compound Name4-cyclohexylbut-2-ynylcyclohexane
PubChem CID91270502
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name4-cyclohexylbut-2-ynylcyclohexane
SMILESC(#CCC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C16H26/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-6,9-14H2
InChIKeyCYZZGSJYPVKGMS-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
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 4-cyclohexylbut-2-ynylcyclohexane?
The IUPAC name of 4-cyclohexylbut-2-ynylcyclohexane (CID 91270502) is 4-cyclohexylbut-2-ynylcyclohexane.
What is the SMILES notation for 4-cyclohexylbut-2-ynylcyclohexane?
The canonical SMILES for 4-cyclohexylbut-2-ynylcyclohexane is C(#CCC1CCCCC1)CC1CCCCC1.
What is the InChIKey of 4-cyclohexylbut-2-ynylcyclohexane?
The InChIKey is CYZZGSJYPVKGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-6,9-14H2.
What are the key properties of 4-cyclohexylbut-2-ynylcyclohexane?
4-cyclohexylbut-2-ynylcyclohexane has a molecular weight of 218.38 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 4-cyclohexylbut-2-ynylcyclohexane is sourced from PubChem (CID 91270502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).