oct-7-ynylcyclohexane

C14H24 — CID 19817971

IUPACoct-7-ynylcyclohexane
SMILESC#CCCCCCCC1CCCCC1
InChIInChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h1,14H,3-13H2
InChIKeyCWZWTODCFPWBOK-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.54
Rot. Bonds6

About oct-7-ynylcyclohexane

oct-7-ynylcyclohexane (PubChem CID 19817971) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is oct-7-ynylcyclohexane.

Molecular Properties

Compound Nameoct-7-ynylcyclohexane
PubChem CID19817971
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nameoct-7-ynylcyclohexane
SMILESC#CCCCCCCC1CCCCC1
InChIInChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h1,14H,3-13H2
InChIKeyCWZWTODCFPWBOK-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oct-7-ynylcyclohexane?
The IUPAC name of oct-7-ynylcyclohexane (CID 19817971) is oct-7-ynylcyclohexane.
What is the SMILES notation for oct-7-ynylcyclohexane?
The canonical SMILES for oct-7-ynylcyclohexane is C#CCCCCCCC1CCCCC1.
What is the InChIKey of oct-7-ynylcyclohexane?
The InChIKey is CWZWTODCFPWBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h1,14H,3-13H2.
What are the key properties of oct-7-ynylcyclohexane?
oct-7-ynylcyclohexane has a molecular weight of 192.35 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-ynylcyclohexane is sourced from PubChem (CID 19817971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).