oct-3-ynylcyclohexane

C14H24 — CID 19817989

IUPACoct-3-ynylcyclohexane
SMILESCCCCC#CCCC1CCCCC1
InChIInChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-4,7-13H2,1H3
InChIKeyGYDQHLMWSZGMIC-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.54
Rot. Bonds4

About oct-3-ynylcyclohexane

oct-3-ynylcyclohexane (PubChem CID 19817989) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is oct-3-ynylcyclohexane.

Molecular Properties

Compound Nameoct-3-ynylcyclohexane
PubChem CID19817989
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nameoct-3-ynylcyclohexane
SMILESCCCCC#CCCC1CCCCC1
InChIInChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-4,7-13H2,1H3
InChIKeyGYDQHLMWSZGMIC-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-3-ynylcyclohexane?
The IUPAC name of oct-3-ynylcyclohexane (CID 19817989) is oct-3-ynylcyclohexane.
What is the SMILES notation for oct-3-ynylcyclohexane?
The canonical SMILES for oct-3-ynylcyclohexane is CCCCC#CCCC1CCCCC1.
What is the InChIKey of oct-3-ynylcyclohexane?
The InChIKey is GYDQHLMWSZGMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-4,7-13H2,1H3.
What are the key properties of oct-3-ynylcyclohexane?
oct-3-ynylcyclohexane has a molecular weight of 192.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-3-ynylcyclohexane is sourced from PubChem (CID 19817989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).