hex-5-ynylcyclohexane

C12H20 — CID 57172741

IUPAChex-5-ynylcyclohexane
SMILESC#CCCCCC1CCCCC1
InChIInChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h1,12H,3-11H2
InChIKeyUYTBCDZYUOSDCS-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.76
Rot. Bonds4

About hex-5-ynylcyclohexane

hex-5-ynylcyclohexane (PubChem CID 57172741) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is hex-5-ynylcyclohexane.

Molecular Properties

Compound Namehex-5-ynylcyclohexane
PubChem CID57172741
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Namehex-5-ynylcyclohexane
SMILESC#CCCCCC1CCCCC1
InChIInChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h1,12H,3-11H2
InChIKeyUYTBCDZYUOSDCS-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.76
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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Related Compounds

(Prop-2-yn-1-yl)cyclohexane
CID 87265
Ethynylcyclohexane
CID 70263
(But-3-yn-1-yl)cyclohexane
CID 15172911
1-Nonyne, 7-methyl-
CID 522420
(But-3-yn-2-yl)cyclohexane
CID 54488815
(Prop-2-yn-1-yl)cycloheptane
CID 19757507
1-Ethyl-1-ethynylcyclohexane
CID 21360967
1-Ethynyl-4-(propan-2-yl)cyclohexane
CID 121207030
8-Methylnon-1-yne
CID 123569
1-Fluoroprop-2-ynylcyclohexane
CID 90995544
1-Cyclohexyl-1-pentyne
CID 548956
1-Cyclohexyl-1-butyne
CID 11320961

Frequently Asked Questions

What is the IUPAC name of hex-5-ynylcyclohexane?
The IUPAC name of hex-5-ynylcyclohexane (CID 57172741) is hex-5-ynylcyclohexane.
What is the SMILES notation for hex-5-ynylcyclohexane?
The canonical SMILES for hex-5-ynylcyclohexane is C#CCCCCC1CCCCC1.
What is the InChIKey of hex-5-ynylcyclohexane?
The InChIKey is UYTBCDZYUOSDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h1,12H,3-11H2.
What are the key properties of hex-5-ynylcyclohexane?
hex-5-ynylcyclohexane has a molecular weight of 164.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-ynylcyclohexane is sourced from PubChem (CID 57172741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).